WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H122526
CAS#: N/A
Description: TP0597850 is a Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase‑2 Inhibitor. TP0597850 exhibited high stability over a wide range of pH values as well as potent MMP2 inhibition (Ki = 0.034 nM) and ≥2000-fold selectivity determined using the inhibition constants. A kinetic analysis revealed that it possesses slow tight-binding nature with a long MMP2 dissociative half-life (t1/2 = 265 min).
Hodoodo Cat#: H122526
Name: TP0597850
CAS#: N/A
Chemical Formula: C41H56N8O13S
Exact Mass: 900.37
Molecular Weight: 901.000
Elemental Analysis: C, 54.66; H, 6.27; N, 12.44; O, 23.08; S, 3.56
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Synonym: TP0597850; TP-0597850; TP 0597850
IUPAC/Chemical Name: (4S)-10-amino-4-((2S)-2-((2S)-4-amino-1-((R)-4-((4-(4-carbamoylbenzamido)phenyl)sulfonamido)-4-carboxybutanoyl)pyrrolidine-2-carboxamido)-N,4-dimethylpentanamido)-5,10-dioxodecanoic acid
InChi Key: JBENUUWMBMPOIK-FIUFKXBJSA-N
InChi Code: InChI=1S/C41H56N8O13S/c1-23(2)20-30(40(58)48(3)31(17-19-36(53)54)33(50)6-4-5-7-34(43)51)46-39(57)32-21-26(42)22-49(32)35(52)18-16-29(41(59)60)47-63(61,62)28-14-12-27(13-15-28)45-38(56)25-10-8-24(9-11-25)37(44)55/h8-15,23,26,29-32,47H,4-7,16-22,42H2,1-3H3,(H2,43,51)(H2,44,55)(H,45,56)(H,46,57)(H,53,54)(H,59,60)/t26?,29-,30+,31+,32+/m1/s1
SMILES Code: O=C(N)CCCCC([C@H](CCC(O)=O)N(C)C([C@H](CC(C)C)NC([C@H]1N(C(CC[C@H](C(O)=O)NS(=O)(C2=CC=C(NC(C3=CC=C(C(N)=O)C=C3)=O)C=C2)=O)=O)CC(N)C1)=O)=O)=O
Appearance: To be determined
Purity: >98% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: To be determined
Shelf Life: >2 years if stored properly
Drug Formulation: To be determined
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 901.00 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
Takeuchi T, Nomura Y, Tamita T, Nishikawa R, Kakinuma H, Kojima N, Hitaka K, Tamura Y, Kamitani M, Mima M, Nozoe A, Hayashi M. Discovery of TP0597850: A Selective, Chemically Stable, and Slow Tight-Binding Matrix Metalloproteinase-2 Inhibitor with a Phenylbenzamide-Pentapeptide Hybrid Scaffold. J Med Chem. 2023 Jan 12;66(1):822-836. doi: 10.1021/acs.jmedchem.2c01698. Epub 2023 Jan 3. PMID: 36595440.
