SBI-115 - 10mM in DMSO , CAS No.882366-16-7

CAS: 882366-16-7 Cat. No.: S426669 분자식: C14H13ClN2O4S 분자량: 340.78 PubChem CID: 18879973
주문 가능
GRADE & PURITY 10mM in DMSO
Synonyms
4-​Pyrimidinecarboxylic acid,5-​chloro-​2-​(ethylsulfonyl)​-​,3-​methylphenyl ester
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
USA
독일 (EU)*
Price
Qty
1ml
S426669-1ml
2 재고 있음
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US$164.90

US$241.90
저장 US$77.00 (31.83%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

개요

Information

SBI-115 SBI-115 is a novel TGR5 (GPCR19) antagonist. SBI-115 decreases cell proliferation, cholangiocyte spheroid growth and cAMP levels in cystic cholangiocytes.

Targets

TGR5

Specifications

동의어
4-​Pyrimidinecarboxylic acid,5-​chloro-​2-​(ethylsulfonyl)​-​,3-​methylphenyl ester
사양 및 순도
10mM in DMSO
생화학 및 생리적 메커니즘
SBI-115 is a novel TGR5 (GPCR19) antagonist. SBI-115 decreases cell proliferation, cholangiocyte spheroid growth and cAMP levels in cystic cholangiocytes.
보관 조건
Store at -80°C
배송
Dry ice packs + Cold packs
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
제품 특성
ALogP
3.458
회전 가능한 결합
5
이름과 식별자
Pubchem Sid
정식 스마일
CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=CC(=C2)C)Cl
IUPAC Name
(3-methylphenyl) 5-chloro-2-ethylsulfonylpyrimidine-4-carboxylate
InChIKey
IJPXOPBVXVPPEW-UHFFFAOYSA-N
INCHI
1S/C14H13ClN2O4S/c1-3-22(19,20)14-16-8-11(15)12(17-14)13(18)21-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3
이성체 SMILES
CCS(=O)(=O)C1=NC=C(C(=N1)C(=O)OC2=CC=CC(=C2)C)Cl
PubChem CID
18879973
분자량
340.78

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
분류Phenol esters
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPhenol esters
Alternative Parents Pyrimidinecarboxylic acids  Phenoxy compounds  Toluenes  Halopyrimidines  Aryl chlorides  Vinylogous halides  Sulfones  Heteroaromatic compounds  Carboxylic acid esters  Azacyclic compounds  Organooxygen compounds  Organonitrogen compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Phenol ester - Pyrimidine-6-carboxylic acid or derivatives - Pyrimidine-6-carboxylic acid - Phenoxy compound - Halopyrimidine - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Heteroaromatic compound - Vinylogous halide - Sulfonyl - Sulfone - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
설명This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





인증서(CoA, COO, BSE/TSE 및 분석 차트)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
화학 및 물리적 특성
DMSO(mg/mL) 최대 용해도68
DMSO(mM) 최대 용해도199.542226656494
물(mg/mL) 최대 용해도<1
분자량340.800 g/mol
XLogP32.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass340.028 Da
Monoisotopic Mass340.028 Da
Topological Polar Surface Area94.600 Ų
Heavy Atom Count22
Formal Charge0
Complexity494.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
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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