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

CAS: 372954-15-9 Cat. No.: D646181 分子式: C₃₄H₃₁ClN₄O₅ 分子量: 611.09 PubChem CID: 101150096

グレード＆純度 ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

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

Form:Solid

IC50& Target:Duocarmycins DNA alkylator

仕様

仕様と純度

≥95%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

カノニカル・スマイル

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

異性体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

分子量

611.09

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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