Phleomycin E
TL;DR: Phleomycin E (CAS 11031-13-3) is a chemical compound with molecular formula C60H97N23O21S2 and molecular weight 1539.67 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-[[5-[[1-[2-[4-[4-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-4,5-dihydro-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: Phleomycin E, HY-N14887, [2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-4,5-dihydro-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, 2-{[2-{2-[(6-Amino-2-{3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl}-5-methylpyrimidine-4-carbonyl)amino]-3-[(5-{[1-({2-[4-({4-[N'-(4-carbamimidamidobutyl)carbamimidamido]butyl}carbamoyl)-4',5'-dihydro[2,4'-bi-1,3-thiazol]-2'-yl]ethyl}amino)-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, Bleomycinamide, N1-[4-[[[[4-[(aminoiminomethyl)amino]butyl]amino]iminomethyl]amino]butyl]-7,8-dihydro-
| Molecular Formula | C60H97N23O21S2 |
|---|---|
| Molecular Weight | 1539.67 g/mol |
| LogP | -10.7 |
| Topological Polar Surface Area | 795.0 Ų |
| Hydrogen Bond Donors | 24 |
| Hydrogen Bond Acceptors | 33 |
| Rotatable Bonds | 43 |
| Exact Mass | 1539.6671 |
| Heavy Atoms | 106 |
| Complexity | 2980.0 |
Chemical Identifiers
| CAS Number | 11031-13-3 |
|---|---|
| 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)NCCCCNC(=NCCCCN=C(N)N)N)O |
| InChIKey | NVEXEWYGCXIGOY-UHFFFAOYSA-N |
Product Overview
Phleomycin E (CAS 11031-13-3), with molecular formula C60H97N23O21S2 and molecular weight 1539.67 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-[[5-[[1-[2-[4-[4-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-4,5-dihydro-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 Phleomycin E
Property Insights of Phleomycin E
The XLogP value of -10.7 indicates that Phleomycin E is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 795.0 Ų indicates high polarity, suggesting Phleomycin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phleomycin E has 24 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 Phleomycin E?
The CAS number of Phleomycin E is 11031-13-3.
What is the molecular formula of Phleomycin E?
The molecular formula of Phleomycin E is C60H97N23O21S2.
What is the molecular weight of Phleomycin E?
The molecular weight of Phleomycin E is 1539.67 g/mol.
Where can I buy Phleomycin E?
You can request a quote for Phleomycin E directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phleomycin E?
Yes, KEHONG BIO provides custom synthesis services for Phleomycin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.