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2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-

Names

[ CAS No. ]:
3967-01-9

[ Name ]:
2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-

[Synonym ]:
4-methyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
4-methyl-1H-2,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
4-METHYL-2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPIN-2-ONE
4-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-2-one
4-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
4-Methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-on
4-Methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one
1H-1,5-BENZODIAZEPIN-2-ONE,2,3,4,5-TETRAHYDRO-4-METHYL
1,3,4,5-tetrahydro-4-methyl-1,5-benzodiazepin-2-one

Biological Activity

[Description]:

(Rac)-CPI-098 shows antibacterial activity. (Rac)-CPI-098 exhibits superior anti-fungal activity against Monascus ruber, better activity against Aspergillus fumigates, good activity against Aspergillus niger and Aspergillus parasites and moderate activity against Candida albicans[1].

[Related Catalog]:

Research Areas >> Infection
Signaling Pathways >> Anti-infection >> Fungal
Signaling Pathways >> Anti-infection >> Bacterial

[References]

[1]. Akila A, et al. Synthesis, Characterization, Stereochemistry and Antimicrobial Evaluation of N-Acyltetrahydrobenzodiazepin-2-ones[J]. Asian Journal of Chemistry, 2020, 32(5):1007-1014.

Chemical & Physical Properties

[ Density]:
1.084g/cm3

[ Boiling Point ]:
370.3ºC at 760mmHg

[ Melting Point ]:
180ºC

[ Molecular Formula ]:
C10H12N2O

[ Molecular Weight ]:
176.22

[ Flash Point ]:
167.9ºC

[ Exact Mass ]:
176.09500

[ PSA ]:
41.13000

[ LogP ]:
2.10520

[ Index of Refraction ]:
1.526

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF2745000
CHEMICAL NAME :
1H-1,5-Benzodiazepin-2-one, 2,3,4,5-tetrahydro-4-methyl-
CAS REGISTRY NUMBER :
3967-01-9
BEILSTEIN REFERENCE NO. :
0166063
LAST UPDATED :
199712
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C10-H12-N2-O
MOLECULAR WEIGHT :
176.24
WISWESSER LINE NOTATION :
T67 GMV KM&TJ J1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1440 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 31,615,1979
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1042 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay)
REFERENCE :
PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 31,615,1979

Safety Information

[ Hazard Codes ]:
Xi

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%