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DS-1040

CAT: 0804-HY-117745Size: 1 EachDry Ice: NoHazardous: No
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Description
DS-1040 is a low-molecular-weight imidazole derivative. DS-1040 is an inhibitor of the activated thrombin-activatable fibrinolysis (TAFIa) . DS-1040 can promote fibrinolysis through suppressing TAFIa activity. DS-1040 can be studied in thrombolytic disease research[1][2].
CAS Number
1335138-62-9
UNSPSC
12352005
Target
Thrombin
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Smiles
C[C@H]1CC[C@H](N2C=NC(C[C@@H](C(O)=O)CCCN)=C2)CC1
Molecular Formula
C16H27N3O2
Molecular Weight
293.40
References & Citations
[1]Zhou, J., et al., (2017) . A first-in-human study of DS-1040, an inhibitor of the activated form of thrombin-activatable fibrinolysis inhibitor, in healthy subjects. Journal of thrombosis and haemostasis : JTH, 15 (5), 961-971. |[2]Zhou, J., et al., (2019) . First-in-Human Study to Assess the Safety, Pharmacokinetics, and Pharmacodynamics of an Oral Formulation of DS-1040, an Inhibitor of the Activated Form of Thrombin-Activatable Fibrinolysis Inhibitor, in Healthy Subjects. Journal of clinical pharmacology, 59 (12), 1669-1677.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(S)-5-Amino-2-((1-(trans-4-methylcyClohexyl)-1H-imidazol-4-yl)methyl)pentanoic acid

TAFIa Inhibitor DS-1040b is an inhibitor of the activated form of thrombin-activatable fibrinolysis inhibitor (TAFIa; carboxypeptidase B2; CPB2), with potential fibrinolytic activity. Upon DS-1040 infusion, this agent binds to and inhibits TAFIa. This abrogates TAFIa-mediated inhibition of fibrinolysis. This induces fibrinolysis, degrades fibrin clots and prevents thrombus formation. TAFIa, a carboxypeptidase that is activated by thrombin, cleaves C-terminal amino acid residues from fibrin, which prevents binding and activation of plasminogen and inhibits plasmin-mediated fibrinolysis.

CAS Number1335138-62-9
PubChem CID53464327
IUPAC Name(2S)-5-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid
Molecular FormulaC16H27N3O2
Molecular Weight293.40
XLogP-0.7
Topological Polar Surface Area81.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity329
SMILES
CC1CCC(CC1)N2C=C(N=C2)C[C@H](CCCN)C(=O)O
InChI
InChI=1S/C16H27N3O2/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17/h10-13,15H,2-9,17H2,1H3,(H,20,21)/t12?,13-,15?/m0/s1
InChIKey
AEHFUSPLVGWEEP-OWYJLGKBSA-N
Chemical Structure
2D Structure
2D structure of (S)-5-Amino-2-((1-(trans-4-methylcyClohexyl)-1H-imidazol-4-yl)methyl)pentanoic acid
CAS: 1335138-62-9
CID: 53464327
Formula: C16H27N3O2
MW: 293.40
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight293.40
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass293.21032711
Monoisotopic Mass293.21032711
Topological Polar Surface Area81.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity329
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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M11339DS-1040
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A19600-100DS-1040 Tosylate 100mg
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A19600-10DS-1040 Tosylate 10mg
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A19600-50DS-1040 Tosylate 50mg
A19600-1DS-1040 Tosylate 1mg

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