Letaxaban-d5 , Coagulation factor X inhibitor, CAS No.870262-90-1, Coagulation factor X inhibitor

CAS: 870262-90-1 Cat. No.: L353475 분자식: C22H26ClN3O5S 분자량: 479.98
주문 가능
Synonyms
BDBM50317098 | Q27294227 | SCHEMBL766143 | 3kl6 | (S)-1-(1-(3-((6-chloronaphthalen-2-yl)sulfonyl)-2-hydroxypropanoyl)piperidin-4-yl)tetrahydropyrimidin-2(1H)-one | PIPERIDINE, 1-((2S)-3-((6-CHLORO-2-NAPHTHALENYL)SULFONYL)-2-HYDROXY-1-OXOPROPYL)-4-(TETRAHY
Storage
Room temperature
Shipped In
Normal
★
Size
USA
독일 (EU)*
Price
Qty
5mg
L353475-5mg
주문제작 · 8~12주
US$18,685.90
Enter a quantity for the sizes you want to add.
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

동의어
BDBM50317098 | Q27294227 | SCHEMBL766143 | 3kl6 | (S)-1-(1-(3-((6-chloronaphthalen-2-yl)sulfonyl)-2-hydroxypropanoyl)piperidin-4-yl)tetrahydropyrimidin-2(1H)-one | PIPERIDINE, 1-((2S)-3-((6-CHLORO-2-NAPHTHALENYL)SULFONYL)-2-HYDROXY-1-OXOPROPYL)-4-(TETRAHY
보관 조건
Room temperature
배송
Normal
작업 유형
INHIBITOR
작동 메커니즘
Coagulation factor X inhibitor
제품 특성
ALogP1.9
이름과 식별자
정식 스마일C1CNC(=O)N(C1)C2CCN(CC2)C(=O)C(CS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)O
IUPAC Name1-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-1,3-diazinan-2-one
InChIKeyGEHAEMCVKDPMKO-HXUWFJFHSA-N
INCHI1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1
이성체 SMILES C1CNC(=O)N(C1)C2CCN(CC2)C(=O)[C@@H](CS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl)O
분자량 479.98
Reaxy-Rn 12464654
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12464654&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
분류Naphthalenes
SubclassChloronaphthalenes
Intermediate Tree Nodes Not available
Direct ParentChloronaphthalenes
Alternative Parents N-acylpiperidines  Pyrimidones  Diazinanes  Aryl chlorides  Tertiary carboxylic acid amides  Sulfones  Ureas  Secondary alcohols  Azacyclic compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Chloronaphthalene - N-acyl-piperidine - Pyrimidone - Aryl chloride - Aryl halide - 1,3-diazinane - Piperidine - Pyrimidine - Tertiary carboxylic acid amide - Sulfonyl - Sulfone - Secondary alcohol - Urea - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Alcohol - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as chloronaphthalenes. These are aromatic heterocyclic compounds containing a naphthalene moiety substituted at one or more positions by a chlorine atom.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
F10 Tclin Coagulation factor X (4 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
F2 Tclin Thrombin (11687 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLG Tclin Plasminogen (2339 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KLKB1 Tclin Plasma kallikrein (2047 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F9 Tchem Coagulation factor IX (922 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
F10 Tclin Coagulation factor X (9693 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLAT Tclin Tissue-type plasminogen activator (1057 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsomes (16955 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Trypsin (394 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Oryctolagus cuniculus (11301 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhesus monkey (3147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
분자량480.000 g/mol
XLogP31.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass479.128 Da
Monoisotopic Mass479.128 Da
Topological Polar Surface Area115.000 Ų
Heavy Atom Count32
Formal Charge0
Complexity796.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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