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DS-1040 Tosylate

CAT: 0931-T11100-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T11100-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1335138-89-0
Target
Others, Thrombin
Related Pathways
Proteases/Proteasome, Others
Bioactivity
DS-1040 Tosylate is a thrombin-activated fibrinolysis inhibitor (TAFIa) inhibitor, also a fibrinolysis enhancer, inhibiting TAFIa and carboxypeptidase N, reducing fibrin clots in the lungs, useful in thromboembolic disease research.
Smiles
S(=O)(=O)(O)C1=CC=C(C)C=C1.C([C@H](CCCN)C(O)=O)C1=CN(C=N1)[C@H]2CC[C@H](C)CC2
Molecular Formula
C23H35N3O5S
Molecular Weight
465.61
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DS-1040 Tosylate
CAS Number1335138-89-0
PubChem CID53464385
IUPAC Name(2S)-5-amino-2-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]pentanoic acid;4-methylbenzenesulfonic acid
Molecular FormulaC23H35N3O5S
Molecular Weight465.6
Topological Polar Surface Area144
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity536
SMILES
CC1CCC(CC1)N2C=C(N=C2)C[C@H](CCCN)C(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O
InChI
InChI=1S/C16H27N3O2.C7H8O3S/c1-12-4-6-15(7-5-12)19-10-14(18-11-19)9-13(16(20)21)3-2-8-17;1-6-2-4-7(5-3-6)11(8,9)10/h10-13,15H,2-9,17H2,1H3,(H,20,21);2-5H,1H3,(H,8,9,10)/t12?,13-,15?;/m0./s1
InChIKey
BEUWOXSXOMMLGF-JYGFLIHTSA-N
Chemical Structure
2D Structure
2D structure of DS-1040 Tosylate
CAS: 1335138-89-0
CID: 53464385
Formula: C23H35N3O5S
MW: 465.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass465.22974240
Monoisotopic Mass465.22974240
Topological Polar Surface Area144 Ų
Heavy Atom Count32
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5753046DS-1040 Tosylate
HY-101918-01DS-1040 (Tosylate)
A19600-25DS-1040 Tosylate 25mg
A19600-100DS-1040 Tosylate 100mg
A19600-2DS-1040 Tosylate 2mg
M11341DS-1040 tosylate hydrate
A19600-10DS-1040 Tosylate 10mg
A19600-5DS-1040 Tosylate 5mg
A19600-50DS-1040 Tosylate 50mg
A19600-1DS-1040 Tosylate 1mg

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