Bleomycin A1
TL;DR: Bleomycin A1 (CAS 58995-26-9) is a chemical compound with molecular formula C54H81N17O22S3 and molecular weight 1415.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[3-hydroxy-5-[[3-hydroxy-1-[2-[4-[4-(3-methylsulfinylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-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 A1, N1-(3-(Methylsulfinyl)propyl)bleomycinamide, Bleomycinamide, N(sup 1)-(3-(methylsulfinyl)propyl)-, 2-({2-[2-{[(6-amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidin-4-yl)carbonyl]amino}-3-({3-hydroxy-5-[(3-hydroxy-1-{[2-(4-{[3-(methylsulfinyl)propyl]carbamoyl}-2,4'-bi-1,3-thiazol-2'-yl)ethyl]amino}-1-oxobutan-2-yl)amino]-4-methyl-5-oxopentan-2-yl}amino)-1-(1h-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-3-yl}oxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2h-pyran-4-yl carbamate(non-preferred name), [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[3-hydroxy-5-[[3-hydroxy-1-[2-[4-[4-(3-methylsulfinylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-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 | C54H81N17O22S3 |
|---|---|
| Molecular Weight | 1415.49 g/mol |
| LogP | -9.1 |
| Topological Polar Surface Area | 720.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 36 |
| Exact Mass | 1415.4905 |
| Heavy Atoms | 96 |
| Complexity | 2630.0 |
Chemical Identifiers
| CAS Number | 58995-26-9 |
|---|---|
| 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)NCCCS(=O)C)O |
| InChIKey | GMYNGXLEGQPRFK-UHFFFAOYSA-N |
Product Overview
Bleomycin A1 (CAS 58995-26-9), with molecular formula C54H81N17O22S3 and molecular weight 1415.49 g/mol. IUPAC: [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[3-hydroxy-5-[[3-hydroxy-1-[2-[4-[4-(3-methylsulfinylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-1-oxobutan-2-yl]amino]-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 A1
Property Insights of Bleomycin A1
The XLogP value of -9.1 indicates that Bleomycin A1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 720.0 Ų indicates high polarity, suggesting Bleomycin A1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bleomycin A1 has 20 hydrogen bond donor(s) and 33 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bleomycin A1?
The CAS number of Bleomycin A1 is 58995-26-9.
What is the molecular formula of Bleomycin A1?
The molecular formula of Bleomycin A1 is C54H81N17O22S3.
What is the molecular weight of Bleomycin A1?
The molecular weight of Bleomycin A1 is 1415.49 g/mol.
Where can I buy Bleomycin A1?
You can request a quote for Bleomycin A1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bleomycin A1?
Yes, KEHONG BIO provides custom synthesis services for Bleomycin A1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.