Deglycobleomycin A2
TL;DR: Deglycobleomycin A2 (CAS 78193-35-8) is a chemical compound with molecular formula C42H63ClN16O10S3 and molecular weight 1082.38 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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-hydroxy-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 chloride
Also Known As: Deglycobleomycin A2, 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-hydroxy-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 chloride, Bleomycinamide, 41-O-de(2-O-(3-O-(aminocarbonyl)-alpha-D-mannopyranosyl)-alpha-L-glucopyranosyl)N'-(3-(dimethylsulfonio)propyl)-, chloride
| Molecular Formula | C42H63ClN16O10S3 |
|---|---|
| Molecular Weight | 1082.38 g/mol |
| LogP | -6.45098 |
| Topological Polar Surface Area | 494.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 28 |
| Exact Mass | 1082.3763 |
| Heavy Atoms | 72 |
| Complexity | 1800.0 |
Chemical Identifiers
| CAS Number | 78193-35-8 |
|---|---|
| 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(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC3=NC(=CS3)C4=NC(=CS4)C(=O)NCCC[S+](C)C)O.[Cl-] |
| InChIKey | KYGILBUZBXJXIF-LUYGYCCCSA-N |
Product Overview
Deglycobleomycin A2 (CAS 78193-35-8), with molecular formula C42H63ClN16O10S3 and molecular weight 1082.38 g/mol. IUPAC: 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-hydroxy-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 chloride.
Chemical Property Profile of Deglycobleomycin A2
Property Insights of Deglycobleomycin A2
The XLogP value of -6.45098 indicates that Deglycobleomycin A2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 494.0 Ų indicates high polarity, suggesting Deglycobleomycin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deglycobleomycin A2 has 14 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deglycobleomycin A2?
The CAS number of Deglycobleomycin A2 is 78193-35-8.
What is the molecular formula of Deglycobleomycin A2?
The molecular formula of Deglycobleomycin A2 is C42H63ClN16O10S3.
What is the molecular weight of Deglycobleomycin A2?
The molecular weight of Deglycobleomycin A2 is 1082.38 g/mol.
Where can I buy Deglycobleomycin A2?
You can request a quote for Deglycobleomycin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deglycobleomycin A2?
Yes, KEHONG BIO provides custom synthesis services for Deglycobleomycin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.