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Bleomycin A6 , RNA disrupting agent, CAS No.37293-17-7, RNA disrupting agent
Basic Description
Synonyms
Bleomycin A6 | HY-147359 | N(sup 1)-(3-((4-((3-Aminopropyl)amino)butyl)amino)propyl)bleomycinamide | [(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]am
Action Type
DISRUPTING AGENT
Mechanism of action
RNA disrupting agent
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
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 Beta amino acids and derivatives Disaccharides O-glycosyl compounds Pyrimidinecarboxylic acids and derivatives 2-heteroaryl carboxamides Thiazolecarboxamides Aminopyrimidines and derivatives Aralkylamines 2,4-disubstituted thiazoles Oxanes N-acyl amines Imidolactams Carbamate esters Heteroaromatic compounds Imidazoles Organic carbonic acids and derivatives Secondary carboxylic acid amides Primary carboxylic acid amides Secondary alcohols Dialkylamines Azacyclic compounds Oxacyclic compounds Acetals Monoalkylamines Organic oxides Carbonyl compounds Organopnictogen compounds Primary alcohols Hydrocarbon derivatives
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 - Alpha-amino acid amide - Gamma amino acid or derivatives - Disaccharide - O-glycosyl compound - Beta amino acid or derivatives - Glycosyl compound - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Pyrimidine-6-carboxylic acid or derivatives - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2-heteroaryl carboxamide - Aralkylamine - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Oxane - Imidolactam - N-acyl-amine - Fatty amide - Pyrimidine - Fatty acyl - Heteroaromatic compound - Imidazole - Azole - Carbamic acid ester - Thiazole - Amino acid or derivatives - Secondary carboxylic acid amide - Carbonic acid derivative - Carboxamide group - Secondary alcohol - Primary carboxylic acid amide - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteromonocyclic compound
Description
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.
Names and Identifiers
IUPAC Name
[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-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)-5-[[(2S,3R)-1-[2-[4-[4-[3-[4-(3-aminopropylamino)butylamino]propylcarbamo
INCHI
InChI=1S/C60H96N20O21S2/c1-25-38(77-51(80-49(25)64)30(17-36(63)84)72-18-29(62)50(65)90)55(94)79-40(46(31-19-69-24-73-31)99-59-48(44(88)42(86)34(20-81)98-59)100-58-45(89)47(101-60(66)96)43(87)35(21-82)97-58)56(95)74-27(3)41(85)26(2)52(91)78-39(28(4)83)54(9
InChIKey
FOUFFVYWFNBHHH-YNGSZULRSA-N
Smiles
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)NCCCNCCCCNCCCN)O
Isomeric 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)NCCCNCCCCNCCCN)O
PubChem CID
9877229
Molecular Weight
1497.7
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
1497.700 g/mol
XLogP3
-8.900
Hydrogen Bond Donor Count
23
Hydrogen Bond Acceptor Count
34
Rotatable Bond Count
44
Exact Mass
1496.65 Da
Monoisotopic Mass
1496.65 Da
Topological Polar Surface Area
734.000 Ų
Heavy Atom Count
103
Formal Charge
0
Complexity
2690.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
19
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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