NITD 008 - ≥97%(HPLC) , CAS No.1044589-82-3

CAS: 1044589-82-3 Cat. No.: N286837 분자식: C13H14N4O4 분자량: 290.27
주문 가능
GRADE & PURITY ≥97%(HPLC)
Synonyms
7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(2-c-ethynyl-beta-D-ribofuranosyl)- | LKI7T3WQ2E | 1044589-82-3 | UNII-LKI7T3WQ2E | (2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol | (2R,3R,4R,5R)-2-(4-AMINO-PYRROLO[
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
1mg
N286837-1mg
주문제작 · 8~12주
US$401.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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
7H-Pyrrolo(2,3-d)pyrimidin-4-amine, 7-(2-c-ethynyl-beta-D-ribofuranosyl)- | LKI7T3WQ2E | 1044589-82-3 | UNII-LKI7T3WQ2E | (2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol | (2R,3R,4R,5R)-2-(4-AMINO-PYRROLO[
사양 및 순도
≥97%(HPLC)
생화학 및 생리적 메커니즘
Selective flavivirus inhibitor. Adenosine analog. Inhibits dengue virus (EC50= 0.64 μM), hepatitis C virus and cellular entry of Zika virus. Reduces increases of cytokines and NS1 and prevents death in dengue-infected mice. Activein vivo. Orally bioavaila
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
작업 유형
INHIBITOR
순수함
≥97%(HPLC)
이름과 식별자
정식 스마일C#CC1(C(C(OC1N2C=CC3=C(N=CN=C32)N)CO)O)O
IUPAC Name(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-ethynyl-5-(hydroxymethyl)oxolane-3,4-diol
InChIKeyNKRAIOQPSBRMOV-NRMKKVEVSA-N
INCHI1S/C13H14N4O4/c1-2-13(20)9(19)8(5-18)21-12(13)17-4-3-7-10(14)15-6-16-11(7)17/h1,3-4,6,8-9,12,18-20H,5H2,(H2,14,15,16)/t8-,9-,12-,13-/m1/s1
이성체 SMILES C#C[C@]1([C@@H]([C@H](O[C@H]1N2C=CC3=C(N=CN=C32)N)CO)O)O
분자량 290.27
Reaxy-Rn 29225462
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29225462&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
SuperclassNucleosides, nucleotides, and analogues
분류Pyrrolopyrimidine nucleosides and nucleotides
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyrrolopyrimidine nucleosides and nucleotides
Alternative Parents Glycosylamines  Pentoses  Pyrrolo[2,3-d]pyrimidines  Aminopyrimidines and derivatives  Ynones  Substituted pyrroles  Imidolactams  Tertiary alcohols  Heteroaromatic compounds  Oxolanes  Secondary alcohols  Acetylides  Oxacyclic compounds  Azacyclic compounds  Primary amines  Hydrocarbon derivatives  Primary alcohols  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrrolopyrimidine ribonucleoside - Glycosyl compound - N-glycosyl compound - Pentose monosaccharide - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Aminopyrimidine - Monosaccharide - Substituted pyrrole - Ynone - Imidolactam - Pyrimidine - Heteroaromatic compound - Pyrrole - Tertiary alcohol - Oxolane - Secondary alcohol - Acetylide - Oxacycle - Azacycle - Organoheterocyclic compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as pyrrolopyrimidine nucleosides and nucleotides. These are nucleoside derivatives containing a ribose derivative which is n-glycosylated to a pyrrolopyrimidine. Also called deazapurine nucleosides, they are analogs of purine nucleosides with the N atom of the purine being replaced by a C atom at position 7.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RD (1212 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
dengue virus type 4 (242 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Japanese encephalitis virus (187 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Yellow fever virus (1530 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Coxsackievirus (559 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dengue virus (413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterovirus A71 (1246 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vero (26788 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dengue virus type 1 (258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dengue virus type 2 (2400 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dengue virus type 3 (207 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
enterovirus D68 (324 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Blood (6 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zika virus (1028 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NS5 (58 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
용해성Solvent:DMSO, Max Conc. mg/mL: 5.81, Max Conc. mM: 20
분자량290.270 g/mol
XLogP3-1.400
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass290.102 Da
Monoisotopic Mass290.102 Da
Topological Polar Surface Area127.000 Ų
Heavy Atom Count21
Formal Charge0
Complexity455.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
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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