Basic Description

Synonyms	Talabostat mesylate \| Talabostat mesilate \| Val-boroPro \| HY-13233A \| SY013378 \| Talabostat mesylate; Val-boroPro; PT100 \| Talabostatmesylate \| AB17749 \| EX-A2166 \| ((2R)-1-((2S)-2-amino-3-methylbutanoyl)pyrrolidin-2-yl)boronic acid methanesulfonate \| SMR
Specifications & Purity	10mM in DMSO
Biochemical and Physiological Mechanisms	Cell permeable: yes Secondary Target QPP, PEP and FAP Primary Target DPP-IV, DPP8 and DPP9 Reversible: yes Target IC50: 15 nM for DPP-II
Storage Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Alpha amino acids and derivatives
        Level7 Valine and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Alpha amino acids and derivatives
Direct Parent	Valine and derivatives
Alternative Parents	Alpha amino acid amides N-acylpyrrolidines Tertiary carboxylic acid amides Sulfonyls Organosulfonic acids Methanesulfonates Alkanesulfonic acids Boronic acids Organic metalloid salts Azacyclic compounds Organic oxides Monoalkylboranes Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Not available
Substituents	Valine or derivatives - Alpha-amino acid amide - N-acylpyrrolidine - Methanesulfonate - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Alkanesulfonic acid - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Boronic acid derivative - Boronic acid - Carboxamide group - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Alkylborane - Carbonyl group - Monoalkylborane - Organic oxygen compound - Organic nitrogen compound - Amine - Aliphatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as valine and derivatives. These are compounds containing valine or a derivative thereof resulting from reaction of valine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	[(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid;methanesulfonic acid
INCHI	InChI=1S/C9H19BN2O3.CH4O3S/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15;1-5(2,3)4/h6-8,14-15H,3-5,11H2,1-2H3;1H3,(H,2,3,4)/t7-,8-;/m0./s1
InChIKey	OXYYOEIGQRXGPI-WSZWBAFRSA-N
Smiles	B(C1CCCN1C(=O)C(C(C)C)N)(O)O.CS(=O)(=O)O
Isomeric SMILES	B([C@@H]1CCCN1C(=O)[C@H](C(C)C)N)(O)O.CS(=O)(=O)O
Alternate CAS	149682-77-9
PubChem CID	11522448
Molecular Weight	310.18

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	310.180 g/mol
XLogP3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	310.137 Da
Monoisotopic Mass	310.137 Da
Topological Polar Surface Area	150.000 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	328.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Citations of This Product

How to Cite Aladdin Scientific Products?

1. Wang Hao-yu, Lin Xi, Huang Guan-gen, Zhou Rong, Lei Shu-yue, Ren Jing, Zhang Kai-rong, Feng Chun-lan, Wu Yan-wei, Tang Wei. (2023) Atranorin inhibits NLRP3 inflammasome activation by targeting ASC and protects NLRP3 inflammasome-driven diseases. ACTA PHARMACOLOGICA SINICA, (1-14).

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Talabostat mesylate - 10mM in DMSO, high purity , CAS No.150080-09-4