PD173074. - Moligand™, ≥99% , CAS No.219580-11-7

CAS: 219580-11-7 Cat. No.: P125865 Peso molecular: 523.67 Número EC: 633-614-8

GRADE & PURITY Moligand™, ≥99%

Synonyms

A25450 | SMR000568412 | BCPP000121 | MFCD08705327 | CHEBI:63448 | HMS2233G17 | NSC766908 | NSC-766908 | UNII-A4TLL8634Y | 1-tert-Butyl-3-(6-(3,5-dimethoxyphenyl)-2-(4-diethylaminobutylamino)pyrido(2,3-d)pyrimidin-7-yl)urea | 2fgi | BDBM6190 | NCGC00165863

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

PD173074 es un potente inhibidor de FGFR1 con IC50 de ~25 nM y también inhibe VEGFR2 con IC50 de 100-200 nM, ~1000 veces selectivo para FGFR1 que para PDGFR y c-Src.
Potente inhibidor de los receptores FGF y VEGF (Flt/Flk).

Specifications

Sinónimos

A25450 | SMR000568412 | BCPP000121 | MFCD08705327 | CHEBI:63448 | HMS2233G17 | NSC766908 | NSC-766908 | UNII-A4TLL8634Y | 1-tert-Butyl-3-(6-(3, 5-dimethoxyphenyl)-2-(4-diethylaminobutylamino)pyrido(2, 3-d)pyrimidin-7-yl)urea | 2fgi | BDBM6190 | NCGC00165863

Especificaciones y pureza

Moligand™, ≥99%

Mecanismos bioquímicos y fisiológicos

El PD173074, inhibidor de la tirosina quinasa receptora del FGF/VEGF, es un compuesto de piridopirimidina permeable a las células que ha demostrado actuar como inhibidor potente, competitivo con el ATP y reversible de los receptores del FGF y del VEGF {IC

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

INHIBITOR

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥99%

Nombres e identificadores

• Sonrisas canónicas: CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C
• IUPAC Name: 1-tert-butyl-3-[2-[4-(diethylamino)butylamino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]urea
• InChIKey: DXCUKNQANPLTEJ-UHFFFAOYSA-N
• INCHI: 1S/C28H41N7O3/c1-8-35(9-2)13-11-10-12-29-26-30-18-20-16-23(19-14-21(37-6)17-22(15-19)38-7)25(31-24(20)32-26)33-27(36)34-28(3,4)5/h14-18H,8-13H2,1-7H3,(H3,29,30,31,32,33,34,36)
• Isómeros SMILES: CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C
• WGK Alemania: 3
• Peso molecular: 523.67
• Reaxy-Rn: 10130688
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10130688&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Pyrido[2,3-d]pyrimidines Dimethoxybenzenes Phenoxy compounds Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Trialkylamines Isoureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylpyridine - Pyrido[2,3-d]pyrimidine - M-dimethoxybenzene - Dimethoxybenzene - Pyridopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Isourea - Tertiary amine - Tertiary aliphatic amine - Organic 1,3-dipolar compound - Azacycle - Ether - Carboximidic acid derivative - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• External Descriptors: tertiary amino compound - ureas - pyridopyrimidine

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

Objetivos asociados (humanos)

FGFR1 Tclin Fibroblast growth factor receptor 1 (6 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 (1 Activities)

Discover Target: FGFR2

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

ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)

Discover Target: ABL1

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

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

INSR Tclin Insulin receptor (5558 Activities)

Discover Target: INSR

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

PDGFRB Tclin Platelet-derived growth factor receptor beta (5195 Activities)

Discover Target: PDGFRB

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

GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)

Discover Target: GSK3B

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

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

CSNK1D Tchem Casein kinase I delta (4546 Activities)

Discover Target: CSNK1D

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

SRC Tclin Tyrosine-protein kinase SRC (10310 Activities)

Discover Target: SRC

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

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

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

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

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

CSK Tchem Tyrosine-protein kinase CSK (2395 Activities)

Discover Target: CSK

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

MST1R Tchem Macrophage-stimulating protein receptor (2327 Activities)

Discover Target: MST1R

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

MAP2K1 Tclin Dual specificity mitogen-activated protein kinase kinase 1 (4127 Activities)

Discover Target: MAP2K1

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

CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)

Discover Target: CDK2

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

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)

Discover Target: YES1

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

AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)

Discover Target: AURKA

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

ATM Tchem Serine-protein kinase ATM (4198 Activities)

Discover Target: ATM

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143B (353 Activities)

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5637 (630 Activities)

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A 172 (535 Activities)

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A204 (242 Activities)

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A2058 (690 Activities)

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A-375 (9258 Activities)

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A-427 (643 Activities)

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A498 (42825 Activities)

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A673 (619 Activities)

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ACHN (49357 Activities)

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AGS (1999 Activities)

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BT-20 (503 Activities)

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BT-474 (2113 Activities)

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BXPC-3 (2997 Activities)

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C8166 (1658 Activities)

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Caco-2 (12174 Activities)

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CAKI-1 (44928 Activities)

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Calu-1 (518 Activities)

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Calu-3 (339 Activities)

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Calu-6 (398 Activities)

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CAPAN-1 (772 Activities)

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CCRF-CEM (65223 Activities)

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CFPAC-1 (421 Activities)

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COLO 205 (50209 Activities)

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COLO 320 (353 Activities)

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COLO 320DM (191 Activities)

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COR-L23 (253 Activities)

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DAN-G (242 Activities)

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Daoy (570 Activities)

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DLD-1 (17511 Activities)

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Objetivos asociados (no humanos)

Mapk1 MAP kinase ERK2 (650 Activities)

Discover Target: Mapk1

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

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

Plasmodium falciparum (966862 Activities)

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H4 (48 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

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

Pdgfra Platelet-derived growth factor receptor (PDGFr) (77 Activities)

Discover Target: Pdgfra

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SARS-CoV-2 (38078 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (21 mg/ml), ethanol (100 mM), water (partly miscible), methanol, and chloroform.
• Sensibilidad: Heat Sensitive
• Punto de fusión (°C): 86 °C
• Peso molecular: 523.700 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 523.327 Da
• Monoisotopic Mass: 523.327 Da
• Topological Polar Surface Area: 114.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 690.000
• 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

Referencias

1. Tingting Yang, Jiayu Yuan, Yuting Peng, Jiale Pang, Zhen Qiu, Shangxiu Chen, Yuhan Huang, Zhenzhou Jiang, Yilin Fan, Junjie Liu, Tao Wang, Xueyan Zhou, Sitong Qian, Jinfang Song, Yi Xu, Qian Lu, Xiaoxing Yin.  (2023)  Metformin: A promising clinical therapeutical approach for BPH treatment via inhibiting dysregulated steroid hormones-induced prostatic epithelial cells proliferation.  Journal of Pharmaceutical Analysis,      [PMID:38352949] [10.1016/j.jpha.2023.08.012]

2. Yanran Bi, Ruiling Zheng, Jiahao Hu, Ruiqing Shi, Junfeng Shi, Yutao Wang, Peng Wang, Wenyi Jiang, Gyudong Kim, Zhiguo Liu, Xiaokun Li, Li Lin.  (2023)  A novel FGFR1 inhibitor CYY292 suppresses tumor progression, invasion, and metastasis of glioblastoma by inhibiting the Akt/GSK3β/snail signaling axis.  Genes & Diseases,      [PMID:37588207] [10.1016/j.gendis.2023.02.035]

3. JiaQin Sun, Wei Wei, YaZhen Xu, JieHao Qu, XiangDong Liu, Takeshi Endo.  (2015)  A curing system of benzoxazine with amine: reactivity, reaction mechanism and material properties.  RSC Advances,  5  (25): (19048-19057).  [PMID:] [10.1039/C4RA16582A]