MedKoo Cat#: 122526 | Name: TP0597850

Description:

WARNING: This product is for research use only, not for human or veterinary use.

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).

Chemical Structure

TP0597850
TP0597850
CAS#N/A

Theoretical Analysis

MedKoo Cat#: 122526

Name: TP0597850

CAS#: N/A

Chemical Formula: C41H56N8O13S

Exact Mass: 900.3700

Molecular Weight: 901.00

Elemental Analysis: C, 54.66; H, 6.27; N, 12.44; O, 23.08; S, 3.56

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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
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.