Decarbamoylbelomycin A2
TL;DR: Decarbamoylbelomycin A2 (CAS 106064-23-7) is a chemical compound with molecular formula C54H83N16O20S3+ and molecular weight 1371.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-2-carbonyl]amino]propyl-dimethylsulfanium
Also Known As: Decarbamoylbelomycin A2, 3B-O-de(Aminocarbonyl)-N1-(3-(dimethylsulfonio)propyl)bleomycinamide, Bleomycinamide, 3B-O-de(aminocarbonyl)-N1-(3-(dimethylsulfonio)propyl)-, 3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-2-carbonyl]amino]propyl-dimethylsulfanium
| Molecular Formula | C54H83N16O20S3+ |
|---|---|
| Molecular Weight | 1371.51 g/mol |
| LogP | -7.5 |
| Topological Polar Surface Area | 652.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 30 |
| Rotatable Bonds | 34 |
| Exact Mass | 1371.5132 |
| Heavy Atoms | 93 |
| Complexity | 2460.0 |
Chemical Identifiers
| CAS Number | 106064-23-7 |
|---|---|
| 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)O)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=CN=C(S6)C(=O)NCCC[S+](C)C)O |
| InChIKey | XYWNQDMLYVKCTH-UHFFFAOYSA-O |
Product Overview
Decarbamoylbelomycin A2 (CAS 106064-23-7), with molecular formula C54H83N16O20S3+ and molecular weight 1371.51 g/mol. IUPAC: 3-[[5-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-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-2-carbonyl]amino]propyl-dimethylsulfanium.
Chemical Property Profile of Decarbamoylbelomycin A2
Property Insights of Decarbamoylbelomycin A2
The XLogP value of -7.5 indicates that Decarbamoylbelomycin A2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 652.0 Ų indicates high polarity, suggesting Decarbamoylbelomycin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Decarbamoylbelomycin A2 has 20 hydrogen bond donor(s) and 30 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Decarbamoylbelomycin A2?
The CAS number of Decarbamoylbelomycin A2 is 106064-23-7.
What is the molecular formula of Decarbamoylbelomycin A2?
The molecular formula of Decarbamoylbelomycin A2 is C54H83N16O20S3+.
What is the molecular weight of Decarbamoylbelomycin A2?
The molecular weight of Decarbamoylbelomycin A2 is 1371.51 g/mol.
Where can I buy Decarbamoylbelomycin A2?
You can request a quote for Decarbamoylbelomycin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decarbamoylbelomycin A2?
Yes, KEHONG BIO provides custom synthesis services for Decarbamoylbelomycin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.