Darexaban - ≥99% , Coagulation factor X inhibitor, CAS No.365462-23-3, Coagulation factor X inhibitor

CAS: 365462-23-3 Cat. No.: D647525 분자식: C₂₇H₃₀N₄O₄ 분자량: 474.6 PubChem CID: 9912771

등급 & 순도 ≥99%

Synonyms

BS-46688 | DTXSID101030146 | KF322K101S | AKOS040751402 | Tanexaban [INN] | N-[2-HYDROXY-6-(4-METHOXYBENZAMIDO)PHENYL]-4-(4-METHYL-1,4-DIAZEPAN-1-YL)BENZAMIDE | AT18264 | DAREXABAN [WHO-DD] | UNII-KF322K101S | Tanexaban | N-(3-Hydroxy-2-(4-(4-methyl-1,4-d

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Darexaban (YM150) is a potent, selective and orally active factor Xa (FXa) inhibitor with an IC 50 of 54.6 nM. Darexaban shows high selectivity against other related serine proteases, such as trypsin, thrombin , and kallikrein. Darexaban has anticoagulant and antithrombotic effects .

In Vitro

Darexaban is an oral direct factor Xa (FXa) inhibitor that is rapidly and extensively metabolized into its glucuronide conjugate (YM-222714) post-administration. Darexaban competitively and selectively inhibits human FXa, and also inhibits the prothrombin activation induced by prothrombinase complex or whole blood clot with similar potency to free FXa. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

In mice, Darexaban inhibits FXa activity in plasma with an ED 50 value of 24.8 mg/kg. Darexaban prolonges prothrombin time (PT) at 3 mg/kg. In a pulmonary thromboembolism (PE) mouse model, Darexaban dose-dependently reduces the mortality rate, significantly so at 10 mg/kg. In a FeCl3-induced venous thrombosis (VT) mouse model, Darexaban (0.3-10 mg/kg) dose-dependently decreases the thrombus protein content, significantly so at doses of 3 mg/kg or higher. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

사양

동의어

BS-46688 | DTXSID101030146 | KF322K101S | AKOS040751402 | Tanexaban [INN] | N-[2-HYDROXY-6-(4-METHOXYBENZAMIDO)PHENYL]-4-(4-METHYL-1,4-DIAZEPAN-1-YL)BENZAMIDE | AT18264 | DAREXABAN [WHO-DD] | UNII-KF322K101S | Tanexaban | N-(3-Hydroxy-2-(4-(4-methyl-1,4-d

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

Darexaban (YM150) is a potent, selective and orally active factor Xa (FXa) inhibitor with an IC 50 of 54.6 nM. Darexaban shows high selectivity against other related serine proteases, such as trypsin, thrombin , and kallikrein. Darexaban has anticoagulant

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

INHIBITOR

작동 메커니즘

Coagulation factor X inhibitor

순수함

≥99%

제품 특성

ALogP

3.5

이름과 식별자

Pubchem Sid

528764258

정식 스마일

CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3O)NC(=O)C4=CC=C(C=C4)OC

IUPAC Name

N-[2-hydroxy-6-[(4-methoxybenzoyl)amino]phenyl]-4-(4-methyl-1,4-diazepan-1-yl)benzamide

InChIKey

IJNIQYINMSGIPS-UHFFFAOYSA-N

INCHI

1S/C27H30N4O4/c1-30-15-4-16-31(18-17-30)21-11-7-19(8-12-21)27(34)29-25-23(5-3-6-24(25)32)28-26(33)20-9-13-22(35-2)14-10-20/h3,5-14,32H,4,15-18H2,1-2H3,(H,28,33)(H,29,34)

이성체 SMILES

CN1CCCN(CC1)C2=CC=C(C=C2)C(=O)NC3=C(C=CC=C3O)NC(=O)C4=CC=C(C=C4)OC

대체 CAS

365462-23-3

PubChem CID

9912771

MeSH 용어

darexaban;N-(2-hydroxy-6-(4-methoxybenzamido)phenyl)-4-(4-methyl-1,4-diazepan-1-yl)benzamide;YM 150;YM-150;YM150 cpd

분자량

474.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Aminobenzoic acids and derivatives Benzamides Aniline and substituted anilines Anisoles Benzoyl derivatives Dialkylarylamines Methoxybenzenes Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoids 1,4-diazepanes 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Aminobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Anisole - 1,4-diazepane - Alkyl aryl ether - Phenol - Diazepane - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

F10 Tclin Coagulation factor X (2 Activities)

Discover Target: F10

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F2 Tclin Thrombin (11687 Activities)

Discover Target: F2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KLKB1 Tclin Plasma kallikrein (2047 Activities)

Discover Target: KLKB1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

F10 Tclin Coagulation factor X (9693 Activities)

Discover Target: F10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Trypsin (394 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: DMSO : 250 mg/mL (526.81 mM; Need ultrasonic)
• 분자량: 474.600 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 474.227 Da
• Monoisotopic Mass: 474.227 Da
• Topological Polar Surface Area: 94.100 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 691.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1