Tirofiban hydrochloride monohydrate - ≥98% , Integrin alpha-IIb/beta-3 inhibitor, CAS No.150915-40-5, Integrin alpha-IIb/beta-3 inhibitor

CAS: 150915-40-5 Cat. No.: T120233 Molecular Weight: 495.07 EC Number: 682-504-6 PubChem CID: 60946

GRADE & PURITY ≥98%

Synonyms

UNII-6H925F8O5J | HY-17369 | Tirofiban (hydrochloride monohydrate) | BT164476 | L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-, monohydrochloride, monohydrate | D01029 | L-700462 | Q27108448 | TIROFIBANHYDROCHLORIDEMONOHYDRATE | Tirofiban HCl m

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tirofiban hydrochloride monohydrate has been used as an αIIbβ3 integrin (glycoprotein IIb/IIIa) inhibitor for mouse induced pluripotent stem cell (iPSC) culture.

Specifications

Synonyms

UNII-6H925F8O5J | HY-17369 | Tirofiban (hydrochloride monohydrate) | BT164476 | L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-, monohydrochloride, monohydrate | D01029 | L-700462 | Q27108448 | TIROFIBANHYDROCHLORIDEMONOHYDRATE | Tirofiban HCl m

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Tirofiban hydrochloride is a potent non-peptide, glycoprotein IIb/IIIa inhibitor. Blocks platelet aggregation and thrombus formation. Tirofiban might cause thrombocytopenia.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Integrin alpha-IIb/beta-3 inhibitor

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753729
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753729
• Canonical Smiles: CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl
• IUPAC Name: (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrate;hydrochloride
• InChIKey: HWAAPJPFZPHHBC-FGJQBABTSA-N
• INCHI: 1S/C22H36N2O5S.ClH.H2O/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H;1H2/t21-;;/m0../s1
• Isomeric SMILES: CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl
• WGK Germany: 3
• PubChem CID: 60946
• Molecular Weight: 495.07

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 Phenylalanine 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: Phenylalanine and derivatives
• Alternative Parents: Phenylpropanoic acids Amphetamines and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Piperidines Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylalanine or derivatives - 3-phenylpropanoic-acid - Amphetamine or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Piperidine - Organic sulfonic acid amide - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Amino acid - Carboxylic acid - Secondary aliphatic amine - Ether - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organopnictogen compound - Carbonyl group - Hydrochloride - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylalanine and derivatives. These are compounds containing phenylalanine or a derivative thereof resulting from reaction of phenylalanine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
• External Descriptors: hydrochloride

Data sources

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO: >12 mg/mL at warmed to 60 °C；slightly soluble in water
• Sensitivity: Heat sensitive
• Specific Rotation[α]: -10 to -18° (c=1, MeOH)
• Melt Point(°C): 132 °C
• Molecular Weight: 495.100 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 14
• Exact Mass: 494.222 Da
• Monoisotopic Mass: 494.222 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 579.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 3

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