Duocarmycin Analog - ≥95% , CAS No.372954-15-9

CAS: 372954-15-9 Cat. No.: D646181 분자식: C₃₄H₃₁ClN₄O₅ 분자량: 611.09 PubChem CID: 101150096

등급 & 순도 ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Duocarmycin Analog is an analog of Duocarmycin, and used as an DNA alkylator and ADC cytotoxin

Form:Solid

IC50& Target:Duocarmycins DNA alkylator

사양

사양 및 순도

≥95%

생화학 및 생리적 메커니즘

Duocarmycin Analog is an analog of Duocarmycin, and used as an DNA alkylator and ADC cytotoxin.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

정식 스마일

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC(=C3)C(=O)N4CC(C5=C4C=C(C6=CC=CC=C65)O)CCl

IUPAC Name

tert-butyl N-[4-[[2-[(1S)-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]carbamoyl]phenyl]carbamate

InChIKey

JPKOARKDKWYROQ-OAQYLSRUSA-N

INCHI

1S/C34H31ClN4O5/c1-34(2,3)44-33(43)37-22-10-8-19(9-11-22)31(41)36-23-12-13-26-20(14-23)15-27(38-26)32(42)39-18-21(17-35)30-25-7-5-4-6-24(25)29(40)16-28(30)39/h4-16,21,38,40H,17-18H2,1-3H3,(H,36,41)(H,37,43)/t21-/m1/s1

이성체 SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)NC(=C3)C(=O)N4C[C@H](C5=C4C=C(C6=CC=CC=C65)O)CCl

PubChem CID

101150096

분자량

611.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Naphthols and derivatives Phenylcarbamic acid esters Benzamides Indoles 2-heteroaryl carboxamides Benzoyl derivatives Pyrrole carboxamides 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Tertiary carboxylic acid amides Heteroaromatic compounds Carbamate esters Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - 1-naphthol - Phenylcarbamic acid ester - Naphthalene - Benzamide - Indole - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Alkyl halide - Alkyl chloride - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y