ANTAG III
TL;DR: ANTAG III (CAS 161185-17-7) is a chemical compound with molecular formula C51H77N15O11S3 and molecular weight 1171.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-19-[(2S)-butan-2-yl]-22-(1H-indol-3-ylmethyl)-9,9-dimethyl-12,15,18,21,24-pentaoxo-3,7,8-trithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Also Known As: ANTAG III, ANTAG-III, TT 235, 1-PMP(S)-2-Trp-6-Pen-8-Arg-oxytocin, (PMP(S)(1),Trp(2),Pen(6),Arg(8))-oxytocin
| Molecular Formula | C51H77N15O11S3 |
|---|---|
| Molecular Weight | 1171.51 g/mol |
| LogP | -1.7182 |
| Topological Polar Surface Area | 433.47 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Exact Mass | 1171.5089 |
| Heavy Atoms | 80 |
| Complexity | 2644.0996 |
Chemical Identifiers
| CAS Number | 161185-17-7 |
|---|---|
| SMILES | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(SSC2(CCSCC2)CC(=O)N[C@@H](C(=O)N1)CC3=CNC4=CC=CC=C43)(C)C)C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N |
Product Overview
ANTAG III (CAS 161185-17-7), with molecular formula C51H77N15O11S3 and molecular weight 1171.51 g/mol. IUPAC: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22R)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-19-[(2S)-butan-2-yl]-22-(1H-indol-3-ylmethyl)-9,9-dimethyl-12,15,18,21,24-pentaoxo-3,7,8-trithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide.
Chemical Property Profile of ANTAG III
Property Insights of ANTAG III
The XLogP value of -1.7182 indicates that ANTAG III is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 433.47 Ų indicates high polarity, suggesting ANTAG III may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ANTAG III has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ANTAG III?
The CAS number of ANTAG III is 161185-17-7.
What is the molecular formula of ANTAG III?
The molecular formula of ANTAG III is C51H77N15O11S3.
What is the molecular weight of ANTAG III?
The molecular weight of ANTAG III is 1171.51 g/mol.
Where can I buy ANTAG III?
You can request a quote for ANTAG III directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ANTAG III?
Yes, KEHONG BIO provides custom synthesis services for ANTAG III and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.