[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

Modify Date: 2024-01-08 20:33:07

[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate Structure
[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate structure
 Common Name [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
CAS Number 29069-24-7 Molecular Weight 646.64100
Density 1.3g/cm3 Boiling Point 791.5ºC at 760 mmHg
Molecular Formula C35H45Cl2NO6 Melting Point 163-164ºC
MSDS N/A Flash Point 432.5ºC

 Use of [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate


Prednimustine (Leo 1031;NSC 134087) is the ester formed from Prednisolone (HY-17463) and Chlorambucil (HY-13593). Prednimustine can be used for leukemias and lymphomas research[1].

 Names

Name prednimustine
Synonym More Synonyms

  Biological Activity

Description Prednimustine (Leo 1031;NSC 134087) is the ester formed from Prednisolone (HY-17463) and Chlorambucil (HY-13593). Prednimustine can be used for leukemias and lymphomas research[1].
Related Catalog
In Vivo Prednimustine (120 mg/kg; s.c.; single dose) shows much less toxic than equimolar doses of Chlorambucil (HY-13593) (60 mg/kg; s.c.; single dose) in non-tumour-bearing rat model, due to differences in alkylating agent pharmacokinetics[1]. Prednimustine (40 mg/kg; s.c.; single dose) produces low plasma concentrations (less than 5 microM) of the alkylating metabolites chlorambucil and phenyl acetic mustard, which were maintained for 48 h in rats bearing the sensitive strain of the Walker 256 carcinosarcoma grown as an ascites[1]. Prednimustine (40 mg/kg;s.c.; single dose; measured at 72 h) shows antitumor effect in rats model with the alkylating agent-resistant strain of the Yoshida sarcoma[1]. Animal Model: Female Wistar rats non-tumour-bearing (150-200g)[1] Dosage: 120 mg/kg Administration: Subcutaneous injection; single dose; observed at day 21 Result: Remained 100% survival of rats, while 0% survival for Chlorambucil treatment group. Animal Model: Female Wistar rats bearing the alkylating agent-resistant strain of the Yoshida sarcoma (150-200g)[1] Dosage: 40 mg/kg Administration: Subcutaneous injection; single dose Result: Killed 57% of the resistant tumour cells.

 Chemical & Physical Properties

Density 1.3g/cm3
Boiling Point 791.5ºC at 760 mmHg
Melting Point 163-164ºC
Molecular Formula C35H45Cl2NO6
Molecular Weight 646.64100
Flash Point 432.5ºC
Exact Mass 645.26200
PSA 104.14000
LogP 5.41540
Vapour Pressure 2.08E-26mmHg at 25°C
Index of Refraction 1.606

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
TU4153000
CHEMICAL NAME :
Pregna-1,4-diene-3,20-dione, 11-beta,17,21-trihydroxy-, 21-(4-(p-(bis(2-chloroethyl)amino) phenyl)butyrate)
CAS REGISTRY NUMBER :
29069-24-7
LAST UPDATED :
199612
DATA ITEMS CITED :
7
MOLECULAR FORMULA :
C35-H45-Cl2-N-O6
MOLECULAR WEIGHT :
646.71
WISWESSER LINE NOTATION :
L E5 B666 OV AHTTT&J A1 CQ E1 FV1OV3R DN2G2G& FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Human
DOSE/DURATION :
16 mg/kg/4W
TOXIC EFFECTS :
Behavioral - euphoria Blood - leukopenia Blood - thrombocytopenia
REFERENCE :
JNMDBO Journal of Medicine (Westbury, NY). (PJD Pub., Ltd., POB 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 8,115,1977
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
530 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 1,137,1976
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
128 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
EJCAAH European Journal of Cancer. (Oxford, UK) V.1-17(6), 1965-1981. For publisher information, see EJCODS. Volume(issue)/page/year: 13,873,1977
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
128 mg/kg
TOXIC EFFECTS :
Tumorigenic - active as anti-cancer agent
REFERENCE :
EJCAAH European Journal of Cancer. (Oxford, UK) V.1-17(6), 1965-1981. For publisher information, see EJCODS. Volume(issue)/page/year: 13,873,1977 *** REVIEWS *** IARC Cancer Review:Animal Inadequate Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,115,1990 IARC Cancer Review:Human No Adequate Data IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,115,1990 IARC Cancer Review:Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man. (WHO Publications Centre USA, 49 Sheridan Ave., Albany, NY 12210) V.1- 1972- Volume(issue)/page/year: 50,115,1990

 Synonyms

precorrin-6y
3,7,12,17-Corrintetrapropanoic acid,2,8,13,18-tetrakis(carboxymethyl)-7,8,11,12-tetradehydro-9,10,11,22-tetrahydro-3,9,13,18,19-pentamethyl-,(1R-(1alpha,2alpha,3beta,9beta,13alpha,17beta,18alpha,19beta))
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Chemsrc provides CAS#:29069-24-7 MSDS, density, melting point, boiling point, structure, etc. Its name is [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate>> amp version: [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxo-ethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate

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