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NAPAP

CAT: 0931-T210606-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T210606-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
137171-40-5
Target
Thrombin
Related Pathways
Proteases/Proteasome
Bioactivity
NAPAP is a thrombin inhibitor with potent anticoagulant activity (Ki: 2.1 nM) . It selectively inhibits thrombin through a rapid binding mechanism while exhibiting weaker inhibition of trypsin, Factor Xa, and plasmin. NAPAP can be utilized for research into thrombotic conditions, including venous thrombosis and myocardial infarction.
Smiles
S(NCC(N[C@H](CC1=CC=C(C(=N)N)C=C1)C(=O)N2CCCCC2)=O)(=O)(=O)C3=CC4=C(C=C3)C=CC=C4
Molecular Formula
C27H31N5O4S
Molecular Weight
521.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[n-(Naphthalen-2-Ylsulfonyl)glycyl-4-Carbamimidoyl-D-Phenylalanyl]piperidine
CAS Number137171-40-5
PubChem CID445157
IUPAC NameN-[(2R)-3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide
Molecular FormulaC27H31N5O4S
Molecular Weight521.6
XLogP2.8
Topological Polar Surface Area154
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count37
Formal Charge0
Complexity906
SMILES
C1CCN(CC1)C(=O)[C@@H](CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)/t24-/m1/s1
InChIKey
XXTWZTPVNIYSJZ-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of 1-[n-(Naphthalen-2-Ylsulfonyl)glycyl-4-Carbamimidoyl-D-Phenylalanyl]piperidine
CAS: 137171-40-5
CID: 445157
Formula: C27H31N5O4S
MW: 521.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP32.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass521.20967566
Monoisotopic Mass521.20967566
Topological Polar Surface Area154 Ų
Heavy Atom Count37
Formal Charge0
Complexity906
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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CatalogName
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CatalogName
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