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3967-01-9

3967-01-9 structure
3967-01-9 structure
  • Name: 2H-1,5-Benzodiazepin-2-one,1,3,4,5-tetrahydro-4-methyl-
  • Chemical Name: 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
  • CAS Number: 3967-01-9
  • Molecular Formula: C10H12N2O
  • Molecular Weight: 176.22
  • Catalog: Signaling Pathways Anti-infection Bacterial
  • Create Date: 2016-10-20 17:39:48
  • Modify Date: 2024-01-19 18:00:13
  • (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].
Name 2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
Synonyms 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
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
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.

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

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
Hazard Codes Xi
HS Code 2933990090
1407835-19-1 structure

1407835-19-1

~40%

3967-01-9 structure

3967-01-9
Literature: CONSTELLATION PHARMACEUTICALS, INC.; ALBRECHT, Brian, K.; GEHLING, Victor, S.; HEWITT, Michael, C.; TAYLOR, Alexander, M.; HARMANGE, Jean-Christophe Patent: WO2012/151512 A2, 2012 ; Location in patent: Page/Page column 178 ;
3724-65-0 structure

3724-65-0
95-54-5 structure

95-54-5

~90%

3967-01-9 structure

3967-01-9
Literature: Kidwai; Ruby; Venkataramanan Chemistry of Heterocyclic Compounds, 2004 , vol. 40, # 5 p. 631 - 634
55889-32-2 structure

55889-32-2
95-54-5 structure

95-54-5

~80%

3967-01-9 structure

3967-01-9
Literature: Wang, Xiaoxia; Li, Zhifang; Zhu, Xiangming; Mao, Hui; Zou, Xuefei; Kong, Lichun; Li, Xinsheng Tetrahedron, 2008 , vol. 64, # 27 p. 6510 - 6521
107-93-7 structure

107-93-7
95-54-5 structure

95-54-5

~70%

3967-01-9 structure

3967-01-9
Literature: Cohen; Jin; Reba Journal of Heterocyclic Chemistry, 1993 , vol. 30, # 3 p. 835 - 837
1407835-16-8 structure

1407835-16-8

~%

3967-01-9 structure

3967-01-9
Literature: WO2012/151512 A2, ;
6276-48-8 structure

6276-48-8

~%

3967-01-9 structure

3967-01-9
Literature: Chemische Berichte, , vol. 90, p. 815,822
95-54-5 structure

95-54-5

~%

3967-01-9 structure

3967-01-9
Literature: Chemische Berichte, , vol. 92, p. 2902,2912
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%

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title: CAS No. 3967-01-9 | Chemsrc address: https://www.chemsrc.com/en/baike/668270.html

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