Bleomycin B6
TL;DR: Bleomycin B6 (CAS 73666-80-5) is a chemical compound with molecular formula C65H106N26O21S2 and molecular weight 1650.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(3R,4R)-5-[[(2R,3R)-1-[2-[4-[4-[4-[[N'-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butyl]carbamimidoyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Also Known As: Bleomycin B6, N1-(20-Amino-6,13,20-triimino-5,7,12,14,19-pentaazaeicos-1-yl)bleomycinamide, Bleomycinamide, N1-(20-amino-6,13,20-triimino-5,7,12,14,19-pentaazaeicos-1-yl)-, n1-(20-amino-6,13,20-triimino-5,7,12,14,19-pentaazaeicos-1-yl)-bleomycinamide, [(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(3R,4R)-5-[[(2R,3R)-1-[2-[4-[4-[4-[[N'-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butyl]carbamimidoyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
| Molecular Formula | C65H106N26O21S2 |
|---|---|
| Molecular Weight | 1650.75 g/mol |
| LogP | -9.54898 |
| Topological Polar Surface Area | 792.29 Ų |
| Hydrogen Bond Donors | 26 |
| Hydrogen Bond Acceptors | 34 |
| Rotatable Bonds | 46 |
| Exact Mass | 1650.7467 |
| Heavy Atoms | 114 |
| Complexity | 3876.6863 |
Chemical Identifiers
| CAS Number | 73666-80-5 |
|---|---|
| SMILES | CC1=C(N=C(N=C1N)C(CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@H]([C@H](C2=CN=CN2)OC3[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)NC(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)NCCCCNC(=NCCCCNC(=NCCCCN=C(N)N)N)N)O |
Product Overview
Bleomycin B6 (CAS 73666-80-5), with molecular formula C65H106N26O21S2 and molecular weight 1650.75 g/mol. IUPAC: [(2S,3R,4R,5S,6S)-2-[(3R,4R,5R,6R)-2-[(1R,2R)-2-[[6-amino-2-[3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(3R,4R)-5-[[(2R,3R)-1-[2-[4-[4-[4-[[N'-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butyl]carbamimidoyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate.
Chemical Property Profile of Bleomycin B6
Property Insights of Bleomycin B6
The XLogP value of -9.54898 indicates that Bleomycin B6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 792.29 Ų indicates high polarity, suggesting Bleomycin B6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bleomycin B6 has 26 hydrogen bond donor(s) and 34 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bleomycin B6?
The CAS number of Bleomycin B6 is 73666-80-5.
What is the molecular formula of Bleomycin B6?
The molecular formula of Bleomycin B6 is C65H106N26O21S2.
What is the molecular weight of Bleomycin B6?
The molecular weight of Bleomycin B6 is 1650.75 g/mol.
Where can I buy Bleomycin B6?
You can request a quote for Bleomycin B6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleomycin B6?
Yes, KEHONG BIO provides custom synthesis services for Bleomycin B6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.