Semustine

Modify Date: 2024-01-02 19:13:56

Semustine structure	Common Name	Semustine
	CAS Number	13909-09-6	Molecular Weight	247.72200
	Density	1.31 g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₀H₁₈ClN₃O₂	Melting Point	64°C (rough estimate)
	MSDS	Chinese USA	Flash Point	N/A
	Symbol	GHS06, GHS08	Signal Word	Danger

Use of Semustine

Semustine is a DNA alkylator, binds to DNA, and acts as a cancer chemotherapeutic agent[1].

Name	semustine
Synonym	More Synonyms

Description	Semustine is a DNA alkylator, binds to DNA, and acts as a cancer chemotherapeutic agent[1].
Related Catalog	Research Areas >> Cancer Signaling Pathways >> Cell Cycle/DNA Damage >> DNA Alkylator/Crosslinker
References	[1]. Agarwal S, et al. Molecular modeling and spectroscopic studies of semustine binding with DNA and its comparison with lomustine-DNA adduct formation. J Biomol Struct Dyn. 2015;33(8):1653-68.

Density	1.31 g/cm3
Melting Point	64°C (rough estimate)
Molecular Formula	C₁₀H₁₈ClN₃O₂
Molecular Weight	247.72200
Exact Mass	247.10900
PSA	61.77000
LogP	2.88780
Index of Refraction	1.51

Semustine MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YS5000000

CHEMICAL NAME :: Urea, 1-(2-chloroethyl)-3-(4-methylcyclohexyl)-1-nitroso-

CAS REGISTRY NUMBER :: 13909-09-6

LAST UPDATED :: 199510

DATA ITEMS CITED :: 44

MOLECULAR FORMULA :: C10-H18-Cl-N3-O2

MOLECULAR WEIGHT :: 247.76

WISWESSER LINE NOTATION :: L6TJ AMVNNO&2G D1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Rinsed with water

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 90 mg/kg

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting Blood - leukopenia Blood - thrombocytopenia

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 6 mg/kg

TOXIC EFFECTS :: Gastrointestinal - nausea or vomiting Blood - leukopenia Blood - thrombocytopenia

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - child

DOSE/DURATION :: 5550 mg/kg/30W-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in both tubules and glomeruli

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - child

DOSE/DURATION :: 37950 mg/kg/2Y-I

TOXIC EFFECTS :: Kidney, Ureter, Bladder - changes in both tubules and glomeruli

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 49900 ug/kg

TOXIC EFFECTS :: Behavioral - changes in motor activity (specific assay) Behavioral - withdrawal

TYPE OF TEST :: LD10 - Lethal Dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 37 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 30 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 25 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 14 mg/kg

TOXIC EFFECTS :: Gastrointestinal - hypermotility, diarrhea Blood - agranulocytosis Nutritional and Gross Metabolic - body temperature decrease

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Primate - monkey

DOSE/DURATION :: 100 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Primate - monkey

DOSE/DURATION :: 45 mg/kg

TOXIC EFFECTS :: Gastrointestinal - hypermotility, diarrhea Blood - changes in bone marrow (not otherwise specified) Blood - other changes

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human

DOSE/DURATION :: 22 mg/kg/60W-C

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 30 mg/kg/7W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Lungs, Thorax, or Respiration - tumors Skin and Appendages - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 32 mg/kg/60W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 117 mg/kg/26W-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia Blood - lymphoma, including Hodgkin's disease

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 64 mg/kg/60W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 127 mg/kg/60W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Brain and Coverings - tumors Gastrointestinal - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 203 mg/kg/48W-I

TOXIC EFFECTS :: Tumorigenic - equivocal tumorigenic agent by RTECS criteria Lungs, Thorax, or Respiration - tumors Gastrointestinal - tumors

TYPE OF TEST :: TD - Toxic dose (other than lowest)

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Human - woman

DOSE/DURATION :: 73 mg/kg/3Y-I

TOXIC EFFECTS :: Tumorigenic - Carcinogenic by RTECS criteria Blood - leukemia

TYPE OF TEST :: Micronucleus test

TYPE OF TEST :: Micronucleus test

TYPE OF TEST :: Unscheduled DNA synthesis

TYPE OF TEST :: DNA inhibition

TYPE OF TEST :: DNA inhibition

MUTATION DATA

TYPE OF TEST :: DNA damage

TEST SYSTEM :: Mammal - species unspecified Lymphocyte

DOSE/DURATION :: 2 mmol/L

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 44,1887,1984 *** REVIEWS *** IARC Cancer Review:Animal Limited Evidence IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,150,1987 IARC Cancer Review:Human Sufficient Evidence IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,150,1987 IARC Cancer Review:Group 1 IMSUDL IARC Monographs, Supplement. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) No.1- 1979- Volume(issue)/page/year: 7,150,1987 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X1943 No. of Facilities: 8 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 229 (estimated) No. of Female Employees: 82 (estimated)

Symbol	GHS06, GHS08
Signal Word	Danger
Hazard Statements	H300-H311-H315-H319-H331-H335-H350-H360
Precautionary Statements	P201-P261-P264-P280-P301 + P310-P305 + P351 + P338
Personal Protective Equipment	Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges
Hazard Codes	T: Toxic;
Risk Phrases	R45
Safety Phrases	53-22-26-36/37/39-45
RIDADR	UN 3249
WGK Germany	3
RTECS	YS5000000
Packaging Group	II
Hazard Class	6.1(a)
HS Code	2924299090

Precursor 2
CAS#:13908-15-1 1-(2-chloroethy... CAS#:6321-23-9 4-Methylcyclohe...
DownStream 4
CAS#:64-17-5 Ethanol CAS#:13908-15-1 1-(2-chloroethy... CAS#:75-04-7 Ethylamine CAS#:6321-23-9 4-Methylcyclohe...

HS Code	2924299090
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

Control of bull sperm cell volume during epididymal maturation.

Reprod. Fertil. Dev. 21(3) , 469-78, (2009)

Mature spermatozoa have a mechanism by which they can reduce cellular swelling caused by hypo-osmotic stress. The development of this ability during epididymal maturation in the bull was investigated....

Multiparameter MRI assessment of normal-appearing and diseased vertebral bone marrow.

Eur. Radiol. 20(11) , 2679-89, (2010)

To evaluate spin-lattice (T1) and spin-spin (T2) relaxation times as well as apparent diffusion coefficients (ADCs) of the fat and water components in the vertebral bone marrow (vBM) of patients with ...

Surveillance renal transplant biopsies and subclinical rejection at three months post-transplant in pediatric recipients.

Pediatr. Transplant. 11(5) , 536-9, (2007)

Subclinical acute rejection (SCR) has been increasingly recognized in adult renal transplant recipients with the advent of surveillance biopsies. However, in children, surveillance biopsies are not ro...

SEMUSTINE

1 (2 chloroethyl) 3 (trans 4 methylcyclohexyl) 1 nitrosourea

MFCD00133811

N-<2-chloroethyl>-N'-<4-methylcyclohexyl>-N-nitrosourea

trans-ure

1-(4-trans-methylcyclohexyl)-3-(2-chloroethyl)-3-nitrosourea

ICIG 1110

Semustin

Me-CCNU

1-(2-chloroethyl)-3-(4-trans-methylcyclohexyl)-1-nitrosourea

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Semustine
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Purity: 95.0%
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