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NAPAP

CAT: 0804-HY-174285Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-174285Size:1 Each
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Description
NAPAP is a thrombin inhibitor. It has potent antithrombin activity (Ki: 2.1 nM) . NAPAP selectively inhibits thrombin via a rapid binding mechanism, and has weaker inhibitory effects on trypsin, factor Xa, and plasmin. NAPAP can be used in the study of thrombotic diseases (e.g., venous thrombosis, myocardial infarction) [1].
CAS Number
137171-40-5
UNSPSC
12352005
Target
Thrombin
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Cardiovascular Disease
Smiles
N=C(N)C(C=C1)=CC=C1C[C@H](C(N2CCCCC2)=O)NC(CNS(=O)(C3=CC4=C(C=CC=C4)C=C3)=O)=O
Molecular Formula
C27H31N5O4S
Molecular Weight
521.63
References & Citations
[1]Steinmetzer T, et al. Structure-activity relationships of new NAPAP-analogs. J Enzyme Inhib. 2001;16 (3) :241-9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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
Loading 3D structure...
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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