DX-9065A HCl hydrate

CAT: 0013-GTR19197722-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19197722-01Size:50 mg

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Description

DX-9065a is a potent, competitive factor Xa inhibitor with K (i) values in the 10-20 nM range. It effectively blocks the proinflammatory signaling of factor Xa and gingipains, making it a valuable research tool for studying coagulation and inflammation in both in vitro enzymatic assays and in vivo disease models.

CAS Number

155204-81-2

Field of Research

Metabolism Research

Smiles

OC ([C@H] (C1=CC=C (C=C1) O[C@@H]2CN (CC2) C (C) =N) CC3=CC4=C (C=CC (C (N) =N) =C4) C=C3) =O.Cl.O.O.O.O.O

Molecular Formula

C26H39ClN4O8

Molecular Weight

571.06

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

DX-9065 Hydrochloride pentahydrate

CAS Number	155204-81-2
PubChem CID	122128
IUPAC Name	(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-[4-[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxyphenyl]propanoic acid;pentahydrate;hydrochloride
Molecular Formula	C26H39ClN4O8
Molecular Weight	571.1
Topological Polar Surface Area	128
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Heavy Atom Count	39
Formal Charge	0
Complexity	720

SMILES

CC(=N)N1CC[C@@H](C1)OC2=CC=C(C=C2)[C@H](CC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)C(=O)O.O.O.O.O.O.Cl

InChI

InChI=1S/C26H28N4O3.ClH.5H2O/c1-16(27)30-11-10-23(15-30)33-22-8-6-19(7-9-22)24(26(31)32)13-17-2-3-18-4-5-20(25(28)29)14-21(18)12-17;;;;;;/h2-9,12,14,23-24,27H,10-11,13,15H2,1H3,(H3,28,29)(H,31,32);1H;5*1H2/t23-,24-;;;;;;/m0....../s1

InChIKey

LJCBAPRMNYSDOP-LVCYMWGESA-N

Chemical Structure

2D Structure

CAS: 155204-81-2

CID: 122128

Formula: C26H39ClN4O8

MW: 571.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	571.1
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	8
Exact Mass	570.2456419
Monoisotopic Mass	570.2456419
Topological Polar Surface Area	128 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	720
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	7
Compound Is Canonicalized	Yes

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DX-9065A HCl hydrate

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