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Talabostat Mesylate

CAT: 0572-TRC-T004945-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T004945-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150080-09-4
Synonyms
[(2R)-1-[(2S)-2-Amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-boronic Acid Methanesulfonate; B-[(2R)-1-[(2S)-2-amino-3-methyl-1-oxobutyl]-2-pyrrolidinyl]-boronic Acid Methanesulfonate;
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CC(C)[C@@H](C(=O)N1CCC[C@H]1B(O)O)N.CS(=O)(=O)O
Molecular Formula
C10H23BN2O6S
Molecular Weight
310.18
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Talabostat mesylate

Talabostat Mesylate is the mesylate salt of an orally active small molecule with antineoplastic and hematopoiesis- stimulating activities. By cleaving N-terminal Xaa-Pro or Xaa-Ala residues, talabostat inhibits dipeptidyl peptidases, such as fibroblast activation protein (FAP), resulting in the stimulation of cytokine and chemokine production and specific T-cell immunity and T-cell dependent activity. This agent may also stimulate the production of colony stimulating factors, such as granulocyte colony stimulating factor (G-CSF), resulting in the stimulation of hematopoiesis. Dipeptidyl peptidases are involved in the activation of polypeptide hormones and chemokines.

CAS Number150080-09-4
PubChem CID11522448
IUPAC Name[(2R)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]boronic acid;methanesulfonic acid
Molecular FormulaC10H23BN2O6S
Molecular Weight310.18
Topological Polar Surface Area150
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity328
SMILES
B([C@@H]1CCCN1C(=O)[C@H](C(C)C)N)(O)O.CS(=O)(=O)O
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
Chemical Structure
2D Structure
2D structure of Talabostat mesylate
CAS: 150080-09-4
CID: 11522448
Formula: C10H23BN2O6S
MW: 310.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.18
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass310.1369878
Monoisotopic Mass310.1369878
Topological Polar Surface Area150 Ų
Heavy Atom Count20
Formal Charge0
Complexity328
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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