Deglycobleomycin
TL;DR: Deglycobleomycin (CAS 78314-57-5) is a chemical compound with molecular formula C42H63N19O10S2 and molecular weight 1057.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazole-4-carboxamide
Also Known As: Deglycobleomycin, Deglyco-bleomycin, Deglycobleomycin A2, Deglyco-bleomycin B2, deglycosylated BLM
| Molecular Formula | C42H63N19O10S2 |
|---|---|
| Molecular Weight | 1057.44 g/mol |
| LogP | -4.66938 |
| Topological Polar Surface Area | 501.08 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 29 |
| Exact Mass | 1057.4447 |
| Heavy Atoms | 73 |
| Complexity | 2570.6213 |
Chemical Identifiers
| CAS Number | 78314-57-5 |
|---|---|
| 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)NCCCCN=C(N)N)O |
Product Overview
Deglycobleomycin (CAS 78314-57-5), with molecular formula C42H63N19O10S2 and molecular weight 1057.44 g/mol. IUPAC: 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]-N-[4-(diaminomethylideneamino)butyl]-1,3-thiazole-4-carboxamide.
Chemical Property Profile of Deglycobleomycin
Property Insights of Deglycobleomycin
The XLogP value of -4.66938 indicates that Deglycobleomycin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 501.08 Ų indicates high polarity, suggesting Deglycobleomycin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Deglycobleomycin has 16 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?
The CAS number of Deglycobleomycin is 78314-57-5.
What is the molecular formula of Deglycobleomycin?
The molecular formula of Deglycobleomycin is C42H63N19O10S2.
What is the molecular weight of Deglycobleomycin?
The molecular weight of Deglycobleomycin is 1057.44 g/mol.
Where can I buy Deglycobleomycin?
You can request a quote for Deglycobleomycin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deglycobleomycin?
Yes, KEHONG BIO provides custom synthesis services for Deglycobleomycin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.