BAY-1316957 - ≥98% , CAS No.1613264-40-6

CAS: 1613264-40-6 Cat. No.: B647280 분자식: C27H27N3O3 분자량: 441.52 PubChem CID: 90202558
주문 가능
GRADE & PURITY ≥98%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
★
Size
USA
독일 (EU)*
Price
Qty
5mg
B647280-5mg
주문제작 · 8~12주
US$300.90
10mg
B647280-10mg
주문제작 · 8~12주
US$500.90
25mg
B647280-25mg
주문제작 · 8~12주
US$1,100.90
50mg
B647280-50mg
주문제작 · 8~12주
US$1,900.90
100mg
B647280-100mg
주문제작 · 8~12주
US$3,100.90
Enter a quantity for the sizes you want to add.
🧪
Why this grade

≥98% 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.

개요

BAY-1316957 is a potent, selective and orally active prostaglandin E2 receptor subtype 4 (EP4-R) antagonist with an IC 50 of 15.3 nM for human EP4-R . BAY-1316957 has excellent agent metabolism and pharmacokinetics properties, and can be used for endometriosis research

In Vitro

BAY-1316957 (Compound 32) shows high solubility and permeability using the Caco-2 cellular assay. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

BAY-1316957 (Compound 32; 0.2-5 mg/kg; oral administration; once) treatment significantly reduces mechanical allodynia in dmPGE2 pain model . The pharmacokinetic parameters of BAY-1316957 (Compound 32) shows a low clearance, long half-life, and high bioavailability (F%=90%) in Wistar rats. Investigation of the metabolic pathways of BAY-1316957 (Compound 32) in human, rat, mouse, dog, and monkey hepatocytes revealed that the formation of the acyl glucuronide was also the common and predominant route of biotransformation, mainly catalyzed by UGT1A1 and to a lesser extent by UGT1A3 . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male adult Sprague Dawley rats (220-265 g) injected with 16,16-dimethyl prostaglandin E2 (dmPGE2) Dosage: 0.2 mg/kg, 1 mg/kg, 5 mg/kg Administration: Oral administration; once Result: Significantly reduced paw withdrawal thresholds in dmPGE2 pain model.

Form:Solid

IC50& Target:human EP4-R 15.3 nM (IC 50 )

Specifications

사양 및 순도
≥98%
생화학 및 생리적 메커니즘
BAY-1316957 is a potent, selective and orally active prostaglandin E2 receptor subtype 4 (EP4-R) antagonist with an IC 50 of 15.3 nM for human EP4-R . BAY-1316957 has excellent agent metabolism and pharmacokinetics properties, and can be used for endometr
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
ANTAGONIST
순수함
≥98%
이름과 식별자
정식 스마일
CCN1C2=C(C=C(C=C2)C)C3=C1C=CC(=C3)C4=NC5=C(N4CCOC)C=CC(=C5C)C(=O)O
IUPAC Name
2-(9-ethyl-6-methylcarbazol-3-yl)-1-(2-methoxyethyl)-4-methylbenzimidazole-5-carboxylic acid
InChIKey
FHXIZAPGGULPIK-UHFFFAOYSA-N
INCHI
1S/C27H27N3O3/c1-5-29-22-9-6-16(2)14-20(22)21-15-18(7-10-23(21)29)26-28-25-17(3)19(27(31)32)8-11-24(25)30(26)12-13-33-4/h6-11,14-15H,5,12-13H2,1-4H3,(H,31,32)
이성체 SMILES
CCN1C2=C(C=C(C=C2)C)C3=C1C=CC(=C3)C4=NC5=C(N4CCOC)C=CC(=C5C)C(=O)O
PubChem CID
90202558
분자량
441.52

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
SuperclassOrganoheterocyclic compounds
분류Indoles and derivatives
SubclassCarbazoles
Intermediate Tree Nodes Not available
Direct ParentCarbazoles
Alternative Parents N-alkylindoles  Indoles  Benzimidazoles  Substituted pyrroles  N-substituted imidazoles  Benzenoids  Heteroaromatic compounds  Dialkyl ethers  Carboxylic acids  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Carbazole - N-alkylindole - Benzimidazole - Indole - Benzenoid - Substituted pyrrole - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Pyrrole - Carboxylic acid derivative - Carboxylic acid - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
설명This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
External Descriptors Not available
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
PTGER4 Tclin Prostaglandin E2 receptor EP4 subtype (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PTGER4 Tclin Prostanoid EP4 receptor (2181 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
UGT1A1 Tchem UDP-glucuronosyltransferase 1-1 (448 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ugt1a1 UDP-glucuronosyltransferase 1A1 (1 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
용해성DMSO : 100 mg/mL (226.49 mM; Need ultrasonic)
분자량441.500 g/mol
XLogP34.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass441.205 Da
Monoisotopic Mass441.205 Da
Topological Polar Surface Area69.300 Ų
Heavy Atom Count33
Formal Charge0
Complexity704.000
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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