MC 77
TL;DR: MC 77 (CAS 134136-38-2) is a chemical compound with molecular formula C35H40N4O15 and molecular weight 756.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]phenoxy]oxan-2-yl]methyl acetate
Also Known As: MC 77, N-(4-(2,3,4,6-Tetra-O-acetyl-D-glucopyranosyl)oxy)phenylmitomycin C, (1aS)-6-[[4-[(2-O,3-O,4-O,6-O-Tetraacetyl-beta-D-glucopyranosyl)oxy]phenyl]amino]-8beta-[[(aminocarbonyl)oxy]methyl]-1,1aalpha,2,8,8a,8balpha-hexahydro-8aalpha-methoxy-5-methylazirino[2 ,3 :3,4]pyrrolo[1,2-a]indole-4,7-dione, (8a-Methoxy-5-methyl-4,7-dioxo-6-{4-[(2,3,4,6-tetra-O-acetylhexopyranosyl)oxy]anilino}-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl)methyl hydrogen carbonimidate, [(1aS,8S,8aR,8bS)-8a-Methoxy-5-methyl-4,7-dioxo-6-{4-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]anilino}-1,1a,2,4,7,8,8a,8b-octahydroazirino[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl hydrogen carbonimidate
| Molecular Formula | C35H40N4O15 |
|---|---|
| Molecular Weight | 756.25 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 257.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 17 |
| Exact Mass | 756.249 |
| Heavy Atoms | 54 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 134136-38-2 |
|---|---|
| SMILES | CC1=C(C(=O)C2=C(C1=O)N3C[C@H]4[C@@H]([C@@]3([C@@H]2COC(=O)N)OC)N4)NC5=CC=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | OONKIOWWPLCSQD-NPHOOMDASA-N |
Product Overview
MC 77 (CAS 134136-38-2), with molecular formula C35H40N4O15 and molecular weight 756.25 g/mol. IUPAC: [(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[4-[[(4S,6S,7R,8S)-8-(carbamoyloxymethyl)-7-methoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-11-yl]amino]phenoxy]oxan-2-yl]methyl acetate.
Chemical Property Profile of MC 77
Property Insights of MC 77
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for MC 77. The TPSA of 257.0 Ų indicates high polarity, suggesting MC 77 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, MC 77 has 3 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of MC 77?
The CAS number of MC 77 is 134136-38-2.
What is the molecular formula of MC 77?
The molecular formula of MC 77 is C35H40N4O15.
What is the molecular weight of MC 77?
The molecular weight of MC 77 is 756.25 g/mol.
Where can I buy MC 77?
You can request a quote for MC 77 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for MC 77?
Yes, KEHONG BIO provides custom synthesis services for MC 77 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.