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Tirofiban hydrochloride monohydrate - 10mM in DMSO, high purity , CAS No.150915-40-5, Integrin alpha-IIb/beta-3 inhibitor

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Tirofiban hydrochloride monohydrate - 10mM in DMSO, high purity , CAS No.150915-40-5, Integrin alpha-IIb/beta-3 inhibitor

COA

Grade & Purity:

10mM in DMSO

Cas Number: 150915-40-5
Molecular Weight: 495.07
PubChem CID: 60946

In stock

Item Number

T421787

Grouped product items
SKU	Size	Availability	Price	Qty
T421787-1ml	1ml	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$69.90

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Compound libraries (12325)

Basic Description

Synonyms	Tirofiban hydrochloride monohydrate \| 150915-40-5 \| TIROFIBAN HYDROCHLORIDE \| Tirofiban HCl \| Tirofiban hydrochloride hydrate \| Aggrastat \| Tirofiban (hydrochloride monohydrate) \| Tirofiban HCl hydrate \| 142373-60-2 \| UNII-6H925F8O5J \| CHEBI:9606 \| Tirofiban hydrochloride [USA
Specifications & Purity	10mM in DMSO
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 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.
Action Type	INHIBITOR
Mechanism of action	Integrin alpha-IIb/beta-3 inhibitor
Product Description	Tirofiban hydrochloride monohydrate has been used as an αIIbβ3 integrin (glycoprotein IIb/IIIa) inhibitor for mouse induced pluripotent stem cell (iPSC) culture.

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
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

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid;hydrate;hydrochloride
INCHI	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
InChIKey	HWAAPJPFZPHHBC-FGJQBABTSA-N
Smiles	CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl
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

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Heat sensitive
Specific Rotation[α]	-10 to -18° (c=1, MeOH)
Melt Point(°C)	132 °C
Molecular Weight	495.100 g/mol
XLogP3
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 Å²
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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