Phleomycin A2
TL;DR: Phleomycin A2 (CAS 6946-95-8) is a chemical compound with molecular formula C55H86N17O21S3+ and molecular weight 1416.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[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-[3-[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]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium
Also Known As: Phleomycin A2, KST-1B7636, KST-1B7637, Bleomycinamide, N(sup 1)-(3-(dimethylsulfonio)propyl)-7,8-dihydro-, {3-[({2'-[15-(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)-13-[{[3-{[4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-2-yl]oxy}(1h-imidazol-5-yl)methyl]-9-hydroxy-5-(1-hydroxyethyl)-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl]-4',5'-dihydro-2,4'-bi-1,3-thiazol-4-yl}carbonyl)amino]propyl}(dimethyl)sulfonium(non-preferred name)
| Molecular Formula | C55H86N17O21S3+ |
|---|---|
| Molecular Weight | 1416.53 g/mol |
| LogP | -8.4 |
| Topological Polar Surface Area | 681.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 31 |
| Rotatable Bonds | 36 |
| Exact Mass | 1416.5347 |
| Heavy Atoms | 96 |
| Complexity | 2640.0 |
Chemical Identifiers
| CAS Number | 6946-95-8 |
|---|---|
| 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)NCCC[S+](C)C)O |
| InChIKey | YIRRGAFSYZCZBP-UHFFFAOYSA-O |
Product Overview
Phleomycin A2 (CAS 6946-95-8), with molecular formula C55H86N17O21S3+ and molecular weight 1416.53 g/mol. IUPAC: 3-[[2-[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-[3-[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]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carbonyl]amino]propyl-dimethylsulfanium.
Chemical Property Profile of Phleomycin A2
Property Insights of Phleomycin A2
The XLogP value of -8.4 indicates that Phleomycin A2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 681.0 Ų indicates high polarity, suggesting Phleomycin A2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phleomycin A2 has 20 hydrogen bond donor(s) and 31 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phleomycin A2?
The CAS number of Phleomycin A2 is 6946-95-8.
What is the molecular formula of Phleomycin A2?
The molecular formula of Phleomycin A2 is C55H86N17O21S3+.
What is the molecular weight of Phleomycin A2?
The molecular weight of Phleomycin A2 is 1416.53 g/mol.
Where can I buy Phleomycin A2?
You can request a quote for Phleomycin A2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phleomycin A2?
Yes, KEHONG BIO provides custom synthesis services for Phleomycin A2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.