Teglarinad chloride - ≥98% , Nicotinamide phosphoribosyltransferase inhibitor, CAS No.432037-57-5, Nicotinamide phosphoribosyltransferase inhibitor

CAS: 432037-57-5 Cat. No.: T651316 Fórmula: C₃₀H₄₃Cl₂N₅O₈ Peso molecular: 672.60 PubChem CID: 9961434

GRADE & PURITY ≥98%

Synonyms

PYRIDINIUM, 4-((((6-(4-CHLOROPHENOXY)HEXYL)IMINO)(CYANOAMINO)METHYL)AMINO)-1-(3-OXO-2,4,7,10,13,16-HEXAOXAHEPTADEC-1-YL)-, CHLORIDE (1:1) | Teglarinad chloride [USAN:INN] | MS-31058 | [4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Teglarinad chloride (GMX1777) is a proagent of GMX1778 (a nicotinamide phosphoribosyl transferase inhibitor). Teglarinad chloride exhibits antitumor activity in mice can be attributed to inhibition of NAMPT. Teglarinad chloride also enhances radiation efficacy, mediated by interference with DNA repair and antiangiogenesis.

In Vivo

GMX1777 (75 mg/kg; 24 h intravenous infusion) causes tumor regression in the IM-9 model, a small-cell lung cancer (SHP-77) model, and a colon carcinoma (HCT-116) model. GMX1777 (50-100 mg/kg/d, i.m. for 5 d) with or without local tumor radiotherapy is effective for both FaDu and C666-1 tumors in vivo . GMX1777 (25-400 mg/kg; 24 h intravenous infusion) is quickly converted to GMX1778 in plasma of mice with a half-life of GMX1777 less than 0.7 h. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: CB17 SCID/SCID female mice bearing subcutaneous IM-9 multiple myeloma tumorsDosage: 18.75, 35, 75 mg/kg Administration: A 24 h intravenous infusion Result: Induced a nearly complete regression of the tumors and a significant tumor growth delay at the dose of 75 mg/kg. Reduced IM-9 tumor growth moderately at 37.5 mg/kg.

Form:Solid

Specifications

Sinónimos

PYRIDINIUM, 4-((((6-(4-CHLOROPHENOXY)HEXYL)IMINO)(CYANOAMINO)METHYL)AMINO)-1-(3-OXO-2,4,7,10,13,16-HEXAOXAHEPTADEC-1-YL)-, CHLORIDE (1:1) | Teglarinad chloride [USAN:INN] | MS-31058 | [4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Teglarinad chloride (GMX1777) is a proagent of GMX1778 (a nicotinamide phosphoribosyl transferase inhibitor). Teglarinad chloride exhibits antitumor activity in mice can be attributed to inhibition of NAMPT . Teglarinad chloride also enhances radiation ef

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Mecanismo de acción

Nicotinamide phosphoribosyltransferase inhibitor

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N.[Cl-]

IUPAC Name

[4-[[N'-[6-(4-chlorophenoxy)hexyl]-N-cyanocarbamimidoyl]amino]pyridin-1-ium-1-yl]methyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl carbonate;chloride

InChIKey

DAHMXVAETAAQOZ-UHFFFAOYSA-N

INCHI

1S/C30H42ClN5O8.ClH/c1-38-16-17-39-18-19-40-20-21-41-22-23-43-30(37)44-25-36-13-10-27(11-14-36)35-29(34-24-32)33-12-4-2-3-5-15-42-28-8-6-26(31)7-9-28;/h6-11,13-14H,2-5,12,15-23,25H2,1H3,(H,33,34);1H

Isómeros SMILES

COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N.[Cl-]

CAS alternativo

432037-57-5

PubChem CID

9961434

Términos de entrada MeSH

1-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxycarbonyloxymethyl)-4-(N'-cyano-N''-(6-(4-chlorophenoxy)hexyl)-N-guanidino)pyridinium;1-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxycarbonyloxymethyl)-4-(N'-cyano-N''-(6-(4-chlorophenoxy)hexyl)-N-guanidino)

Peso molecular

672.60

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 200 mg/mL (297.35 mM; Need ultrasonic)
• Sensibilidad: Moisture sensitive
• Peso molecular: 672.600 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 27
• Exact Mass: 671.249 Da
• Monoisotopic Mass: 671.249 Da
• Topological Polar Surface Area: 146.000 Ų
• Heavy Atom Count: 45
• Formal Charge: 0
• Complexity: 802.000
• 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: 2

XLogP3