Marinostatin D
TL;DR: Marinostatin D (CAS 139113-32-9) is a chemical compound with molecular formula C43H66N12O17S and molecular weight 1054.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid
Also Known As: Marinostatin D, Ala-thr-met-arg-tyr-pro-ser-asp-asp-ser-glu, Alanyl-threonyl-methionyl-arginyl-tyrosyl-prolyl-seryl-aspartyl-aspartyl-seryl-glutamine, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid, (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-hydroxy-4-oxobutanoyl]amino]butanedioic acid
| Molecular Formula | C43H66N12O17S |
|---|---|
| Molecular Weight | 1054.44 g/mol |
| LogP | -7.5 |
| Topological Polar Surface Area | 512.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 31 |
| Exact Mass | 1054.439 |
| Heavy Atoms | 73 |
| Complexity | 1990.0 |
Chemical Identifiers
| CAS Number | 139113-32-9 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](C)N)O |
| InChIKey | WJDXFSGDJCWRCO-IIUYZQMUSA-N |
Product Overview
Marinostatin D (CAS 139113-32-9), with molecular formula C43H66N12O17S and molecular weight 1054.44 g/mol. IUPAC: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid.
Chemical Property Profile of Marinostatin D
Property Insights of Marinostatin D
The XLogP value of -7.5 indicates that Marinostatin D is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 512.0 Ų indicates high polarity, suggesting Marinostatin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Marinostatin D has 16 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Marinostatin D?
The CAS number of Marinostatin D is 139113-32-9.
What is the molecular formula of Marinostatin D?
The molecular formula of Marinostatin D is C43H66N12O17S.
What is the molecular weight of Marinostatin D?
The molecular weight of Marinostatin D is 1054.44 g/mol.
Where can I buy Marinostatin D?
You can request a quote for Marinostatin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Marinostatin D?
Yes, KEHONG BIO provides custom synthesis services for Marinostatin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.