Bleomycin hydrochloride - Moligand™, ≥98% , CAS No.67763-87-5

CAS: 67763-87-5 Cat. No.: B649732 분자식: C₅₀H₇₁N₁₆O₂₁S₂R•(HCl)x 분자량: 1451.01(Average) EC 번호: 689-127-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

DTXSID2042690 | SCHEMBL21331830 | Bleomycin hydrochloride

Storage

Store at 2-8°C,Protected from light,Argon charged,Desiccated

Shipped In

Wet ice

개요

Bleomycin hydrochloride is a DNA synthesis inhibitor. Bleomycin hydrochloride is a DNA damaging agent. Bleomycin hydrochloride is an antitumor antibiotic.

Specifications

동의어

DTXSID2042690 | SCHEMBL21331830 | Bleomycin hydrochloride

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Bleomycin hydrochloride is a DNA synthesis inhibitor. Bleomycin hydrochloride is a DNA damaging agent. Bleomycin hydrochloride is an antitumor antibiotic.

보관 조건

Store at 2-8°C,Protected from light,Argon charged,Desiccated

배송

Wet ice

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등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

Pubchem Sid

528773766

정식 스마일

CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.Cl

IUPAC Name

3-[[2-[2-[2-[[(2S,3R)-2-[[(2S,3S,4R)-4-[[(2S,3R)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2R,3S,4S,5R,6R)-4-carbamoyloxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium;hydrochloride

InChIKey

BODDZCXQPQPRES-OYALTWQYSA-O

INCHI

1S/C55H83N17O21S3.ClH/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6;/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88);1H/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-;/m0./s1

이성체 SMILES

CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.Cl

대체 CAS

67763-87-5

분자량

1451.01(Average)

Reaxy-Rn

60692813

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60692813&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid glycopeptides
• Alternative Parents: Histidine and derivatives Fatty acyl glycosides of mono- and disaccharides N-acyl-alpha amino acids and derivatives Gamma amino acids and derivatives Alpha amino acid amides Disaccharides Beta amino acids and derivatives O-glycosyl compounds Pyrimidinecarboxylic acids and derivatives 2-heteroaryl carboxamides Thiazolecarboxamides 2,4-disubstituted thiazoles Aminopyrimidines and derivatives Aralkylamines Oxanes Imidolactams N-acyl amines Heteroaromatic compounds Imidazoles Carbamate esters Secondary alcohols Secondary carboxylic acid amides Organic carbonic acids and derivatives Primary carboxylic acid amides Dialkylamines Acetals Azacyclic compounds Oxacyclic compounds Primary alcohols Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Monoalkylamines Organic oxides Organopnictogen compounds Organosulfur compounds Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hybrid glycopeptide - Histidine or derivatives - Fatty acyl glycoside - Fatty acyl glycoside of mono- or disaccharide - N-acyl-alpha amino acid or derivatives - Gamma amino acid or derivatives - Alpha-amino acid amide - Glycosyl compound - Disaccharide - O-glycosyl compound - Beta amino acid or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - Thiazolecarboxamide - 2-heteroaryl carboxamide - Thiazolecarboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Aralkylamine - Aminopyrimidine - Imidolactam - Pyrimidine - Fatty acyl - N-acyl-amine - Fatty amide - Oxane - Imidazole - Heteroaromatic compound - Azole - Carbamic acid ester - Thiazole - Amino acid or derivatives - Secondary carboxylic acid amide - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Carbonic acid derivative - Secondary amine - Azacycle - Acetal - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary alcohol - Primary amine - Hydrochloride - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic cation - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as hybrid glycopeptides. These are compounds containing a carbohydrate component linked to a hybrid peptide component.
• 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

화학 및 물리적 특성

• 용해성: H2O : 100 mg/mL (Need ultrasonic) DMSO : 50 mg/mL (ultrasonic and warming and heat to 60°C)
• 감도: Light and moisture sensitive