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340,000+ 연구 제품 · Triple ISO certified · COA & SDS 모든 제품에 대한 사용 가능 · 주식 상품에 대한 같은 날 배송 CCR1 antagonist 9 - ≥99% , CAS No.1220026-26-5
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개요 CCR1 antagonist 9 is a potent and selective CCR1 antagonist with an IC 50 of 6.8 nM in calcium flux assay
In Vitro
CCR1 antagonist 9 (Compound 19e) blocks the CCR1 chemotaxis of THP-1 cells with an IC 50 of 28 nM. CCR1 antagonist 9 also blocks hERG with an IC 50 of 30 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:CCR1 6.8 nM (IC 50 , in calcium flux assay)
사양 생화학 및 생리적 메커니즘
CCR1 antagonist 9 is a potent and selective CCR1 antagonist with an IC 50 ofu202f6.8 nM in calcium flux assay.
배송
Ice chest + Ice pads
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이름과 식별자 정식 스마일
CS(=O)(=O)C1=NC=CC(=C1)CNC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)F
IUPAC Name
1-(4-fluorophenyl)-N-[(2-methylsulfonylpyridin-4-yl)methyl]pyrazolo[3,4-c]pyridine-4-carboxamide
InChIKey
DCHROQCNJDJPGN-UHFFFAOYSA-N
INCHI
1S/C20H16FN5O3S/c1-30(28,29)19-8-13(6-7-23-19)9-24-20(27)17-10-22-12-18-16(17)11-25-26(18)15-4-2-14(21)3-5-15/h2-8,10-12H,9H2,1H3,(H,24,27)
이성체 SMILES
CS(=O)(=O)C1=NC=CC(=C1)CNC(=O)C2=CN=CC3=C2C=NN3C4=CC=C(C=C4)F
고급 데이터 Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds 분류 Azoles Subclass Pyrazoles Intermediate Tree Nodes Not available Direct Parent Phenylpyrazoles Alternative Parents Pyridinecarboxamides Fluorobenzenes Aryl fluorides Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylpyrazole - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Fluorobenzene - Halobenzene - Benzenoid - Pyridine - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - Heteroaromatic compound - Sulfonyl - Sulfone - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound 설명 This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. 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.
3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 용해성 DMSO : 83.33 mg/mL (195.87 mM; Need ultrasonic) 분자량 425.400 g/mol XLogP3 1.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 5 Exact Mass 425.096 Da Monoisotopic Mass 425.096 Da Topological Polar Surface Area 115.000 Ų Heavy Atom Count 30 Formal Charge 0 Complexity 710.000 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
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