ODM-203 - 10mM in DMSO , CAS No.1430723-35-5

CAS: 1430723-35-5 Cat. No.: O421589 분자식: C₂₆H₂₁F₂N₅O₂S 분자량: 505.54

등급 & 순도 10mM in DMSO

Synonyms

1430723-35-5 | AKOS040759188 | 1814961-19-7 | s8882 | ZJFCBQXPTQSTCZ-UHFFFAOYSA-N | N-(2',4'-Difluoro-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl)(1,1'-biphenyl)-3-yl)cyclopropanesulfonamide | Cyclopropanesulfonamide, N-(2',4'-difluoro-5-(5-(1-me

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Information

ODM-203 is a selective inhibitor ofFGFRandVEGFRwith ic50s of 11 nM,16 nM,6 nM, 35 nM,26 nM,9 nM,5 nM for recombinant FGFR1, FGFR2, FGFR3,FGFR4, VEGFR1, VEGFR2 and VEGFR3, respectively.

Targets

VEGFR3 (Cell-free assay); FGFR3 (Cell-free assay); VEGFR2 (Cell-free assay); FGFR1 (Cell-free assay); FGFR2 (Cell-free assay) 32053,5 nM; 6 n

In vitro

In cellular assays, ODM-203 inhibits VEGFR-induced tube formation (IC50 33 nmol/L) with similar potency as it inhibits proliferation in FGFR-dependent cell lines such as H1581,SNU16,and RT4 cells (IC50 50-150 nmol/L).

In vivo

ODM-203 shows strong antitumor activity in both FGFR-dependent xenograft models and in an angiogenic xenograft model at similar well-tolerated doses.

Cell Research(from reference)

Cell lines：H1581,SNU16,and RT4 cells 

Concentrations：up to 3 μmol/L 

Incubation Time：96 h 

사양

동의어

1430723-35-5 | AKOS040759188 | 1814961-19-7 | s8882 | ZJFCBQXPTQSTCZ-UHFFFAOYSA-N | N-(2',4'-Difluoro-5-(5-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl)(1,1'-biphenyl)-3-yl)cyclopropanesulfonamide | Cyclopropanesulfonamide, N-(2',4'-difluoro-5-(5-(1-me

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

ODM-203 is a selective inhibitor of FGFR and VEGFR with ic50s of 11 nM,16 nM,6 nM, 35 nM,26 nM,9 nM,5 nM for recombinant FGFR1, FGFR2, FGFR3,FGFR4, VEGFR1, VEGFR2 and VEGFR3, respectively.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

제품 특성

ALogP

4.626

hba_count

4

HBD 수

1

회전 가능한 결합

6

이름과 식별자

Pubchem Sid

528766468

정식 스마일

CN1C=C(C=N1)C2=CC3=C(C=C2)N(C=N3)C4=CC(=CC(=C4)NS(=O)(=O)C5CC5)C6=C(C=C(C=C6)F)F

IUPAC Name

N-[3-(2,4-difluorophenyl)-5-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]phenyl]cyclopropanesulfonamide

InChIKey

ZJFCBQXPTQSTCZ-UHFFFAOYSA-N

INCHI

1S/C26H21F2N5O2S/c1-32-14-18(13-30-32)16-2-7-26-25(10-16)29-15-33(26)21-9-17(23-6-3-19(27)11-24(23)28)8-20(12-21)31-36(34,35)22-4-5-22/h2-3,6-15,22,31H,4-5H2,1H3

이성체 SMILES

CN1C=C(C=N1)C2=CC3=C(C=C2)N(C=N3)C4=CC(=CC(=C4)NS(=O)(=O)C5CC5)C6=C(C=C(C=C6)F)F

분자량

505.54

Reaxy-Rn

24250974

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24250974&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Benzimidazoles
      • Subclass Phenylbenzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Benzimidazoles
• Subclass: Phenylbenzimidazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylbenzimidazoles
• Alternative Parents: Biphenyls and derivatives Phenylimidazoles Sulfanilides Fluorobenzenes Aryl fluorides Organosulfonamides N-substituted imidazoles Organic sulfonamides Heteroaromatic compounds Aminosulfonyl compounds Pyrazoles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylbenzimidazole - Biphenyl - 1-phenylimidazole - Sulfanilide - Fluorobenzene - Halobenzene - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Aryl halide - Monocyclic benzene moiety - Aryl fluoride - N-substituted imidazole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Azole - Imidazole - Azacycle - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached 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.

DOI: 10.1186/s13321-016-0174-y

관련 대상(인간)

FGFR1 Tclin Fibroblast growth factor receptor 1 (1 Activities)

Discover Target: FGFR1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

FGFR2 Tclin Fibroblast growth factor receptor 2 (3405 Activities)

Discover Target: FGFR2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FGFR1 Tclin Fibroblast growth factor receptor 1 (9149 Activities)

Discover Target: FGFR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FLT1 Tclin Vascular endothelial growth factor receptor 1 (6262 Activities)

Discover Target: FLT1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

FLT4 Tclin Vascular endothelial growth factor receptor 3 (3216 Activities)

Discover Target: FLT4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RT-4 (268 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Fgfr4 Fibroblast growth factor receptor 4 (138 Activities)

Discover Target: Fgfr4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)

Discover Target: Fgfr3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• DMSO(mg/mL) 최대 용해도: 100
• DMSO(mM) 최대 용해도: 197.808284210943
• 물(mg/mL) 최대 용해도: ＜1
• 분자량: 505.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 505.138 Da
• Monoisotopic Mass: 505.138 Da
• Topological Polar Surface Area: 90.200 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 886.000
• 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