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Basic information
- CAS
69866-21-3- Standard SMILES
COc1c(O)c2c(c3cc(C(=O)N4CCc5c4c(O)c(OC)c4[nH]c(C(=O)N6CC7CC78C6=CC(=O)c6[nH]cc(C)c68)cc54)[nH]c13)CCN2C(N)=O- InChIKey
UOWVMDUEMSNCAV-UHFFFAOYSA-N- Molecular formula
- C37H33N7O8
- Average molar mass
- 703.7 g/mol
- Monoisotopic mass
- 703.23906104
Names & identifiers
- Preferred name
- CC-1065
- IUPAC
- 5-hydroxy-2-[5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamide
- English name
- Rachelmycin
- Molecular formula
- C37H33N7O8
- Molecular weight
- 703.7
Names & synonyms
CC-10655-hydroxy-2-[5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carbonyl]-4-methoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-6-carboxamideCC 10655-hydroxy-2-(5-hydroxy-4-methoxy-2-(3-methyl-7-oxo-5,10-diazatetracyclo(7.4.0.01,12.02,6)trideca-2(6),3,8-triene-10-carbonyl)-7,8-dihydro-3H-pyrrolo(3,2-e)indole-6-carbonyl)-4-methoxy-7,8-dihydro-3H-pyrrolo(3,2-e)indole-6-carboxamideRefChem:918155NSC298223NSC-298223CHEMBL152578SCHEMBL14586762SCHEMBL29352114CHEBI:223705UOWVMDUEMSNCAV-UHFFFAOYSA-N
Show more names
RachelmycinUOWVMDUEMSNCAV-WYENRQIDSA-NBenzo[1,2-b:4,3-b']dipyrrole-3(2H)-carboxamide, 7-[[1,6-dihydro-4-hydroxy-5-methoxy-7-[[(7bR,8aS)-4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa[c]pyrrolo[3,2-e]indol-2(1H)-yl]carbonyl]benzo[1,2-b:4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-
NSC617542NSC-617542NCI60_002495U-56314Benzo[1,3-b']dipyrrole-3(2H)-carboxamide, 7-[[1,6-dihydro-4-hydroxy-5-methoxy-7-[(4,5,8,8a-tetrahydro-7-methyl-4-oxocyclopropa[c]pyrrolo[3,2-e]indol-2(1H)-yl)carbonyl]benzo[1,2-b:4,3-b']dipyrrol-3(2H)-yl]carbonyl]-1,6-dihydro-4-hydroxy-5-methoxy-
Database identifiers
- CAS
69866-21-3- PubChem CID
- 73240
- ChEMBL
CHEMBL152578- ChEBI
CHEBI:223705- Nikkaji
- J221.723F
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 210 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,610
Physicochemical properties
- Boiling point
- 704.36 °C · 704.36°C (rough estimate)
- Density
- 1.2929 · 1.2929 (rough estimate)
- refractive index
- 1.691 · 1.6910 (estimate)
- color
- Clustered needles or amorphous amber-coloredfoam
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Chemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026)
Applications
UsesRachelmycin (CC-1065) is an antitumor antibiotic and a DNA-alkylating agent. Rachelmycin has cytotoxic potency that can be used as a cytotoxin to synthesis ADC. Rachelmycin effectively inhibits DNA synthesis. Rachelmycin can be used for cancer and infection research[1][2][3].
Suppliers2 total
MedChemExpress[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Related reactions
4 records
Compound notes
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