CD38 inhibitor 1 - ≥98%(HPLC) , CAS No.1700637-55-3

CAS: 1700637-55-3 Cat. No.: C287543 Peso molecular: 413.54
Disponible para pedir
GRADE & PURITY ≥98%(HPLC)
Synonyms
SY325926 | BCP31569 | 4-[[trans-4-(2-Methoxyethoxy)cyclohexyl]amino]-1-methyl-6-(5-thiazolyl)-2(1H)-quinolinone | compound 78c | E85684 | 5,12-NAPHTHACENEDIONE, 8-ACETYL-10-((3-AMINO-2,3,6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7,8,9,10-TETRAHYDRO-1,6
Storage
Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
1mg
C287543-1mg
3
87,90US$
5mg
C287543-5mg
3
196,90US$
10mg
C287543-10mg
3
330,90US$
25mg
C287543-25mg
3
751,90US$
50mg
C287543-50mg
1
1.206,90US$
Enter a quantity for the sizes you want to add.
🧪

Why this grade

≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Descripción general

product description:

A cell-permeable, orally bioavailable, non-toxic thiazolyl-quinolinone derived compound that acts as a potent, selective and reversible inhibitor of CD38 (IC50 = 7.3 & 1.9 nM for human & mouse CD38, respectively; Ki = 0.3 nM for human wt-CD38). Shown to bind to the catalytic active site. Displays attractive PK properties in mice (p.o. 30 mg/kg: t1/2 = 3.5 h, Cmax = 10.8 µg/ml; i.v. 2 mg/kg: t1/2 = 5.3 h, Cmax = 2.98 µg/ml, Cl = 21 ml/min/kg, Vdss = 1.3 L/kg). Rapidly elevates NAD levels by several folds in both liver and gastrocnemius tissue in a diet induced obese mouse (30 mg/kg, p.o.).


Specifications

Sinónimos
SY325926 | BCP31569 | 4-[[trans-4-(2-Methoxyethoxy)cyclohexyl]amino]-1-methyl-6-(5-thiazolyl)-2(1H)-quinolinone | compound 78c | E85684 | 5, 12-NAPHTHACENEDIONE, 8-ACETYL-10-((3-AMINO-2, 3, 6-TRIDEOXY-.ALPHA.-L-LYXO-HEXOPYRANOSYL)OXY)-7, 8, 9, 10-TETRAHYDRO-1, 6
Especificaciones y pureza
≥98%(HPLC)
Mecanismos bioquímicos y fisiológicos
Potent CD38 (ADP ribosyl cyclase/hydrolase) inhibitor (IC50values are 1.9 and 7.3 nM at mouse and human CD38, respectively). Catalyzes breakdown of NAD to nicotinamide and ADPR, and hydrolyzes NAADP to adenosine-5'-O-diphosphoribose phosphate. Elevates NA
Condiciones de almacenamiento de almacenamiento
Protected from light, Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥98%(HPLC)
Nombres e identificadores
Pubchem Sid504772887
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504772887
Sonrisas canónicasCN1C2=C(C=C(C=C2)C3=CN=CS3)C(=CC1=O)NC4CCC(CC4)OCCOC
IUPAC Name4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
InChIKeyVJQALSOBHVEJQM-UHFFFAOYSA-N
INCHI1S/C22H27N3O3S/c1-25-20-8-3-15(21-13-23-14-29-21)11-18(20)19(12-22(25)26)24-16-4-6-17(7-5-16)28-10-9-27-2/h3,8,11-14,16-17,24H,4-7,9-10H2,1-2H3
Isómeros SMILES CN1C2=C(C=C(C=C2)C3=CN=CS3)C(=CC1=O)NC4CCC(CC4)OCCOC
Peso molecular 413.54
Reaxy-Rn 37159747
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37159747&ln=

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
ClaseQuinolines and derivatives
SubclassQuinolones and derivatives
Intermediate Tree Nodes Not available
Direct ParentHydroquinolones
Alternative Parents 4-aminoquinolines  Hydroquinolines  Secondary alkylarylamines  Pyridinones  Cyclohexylamines  Aminopyridines and derivatives  Benzenoids  Vinylogous amides  Thiazoles  Heteroaromatic compounds  Lactams  Dialkyl ethers  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 4-aminoquinoline - Dihydroquinolone - Aminoquinoline - Dihydroquinoline - Secondary aliphatic/aromatic amine - Pyridinone - Cyclohexylamine - Aminopyridine - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Thiazole - Azole - Lactam - Azacycle - Secondary amine - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as hydroquinolones. These are compounds containing a hydrogenated quinoline bearing a ketone group.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
CD38 Tclin Lymphocyte differentiation antigen CD38 (364 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDCK (10148 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

5 results found

Lot NumberCertificate TypeFechaArticulo
L2109475Certificate of AnalysisSep 11, 2024 C287543
L2109476Certificate of AnalysisSep 11, 2024 C287543
L2109477Certificate of AnalysisSep 11, 2024 C287543
L2109478Certificate of AnalysisSep 11, 2024 C287543
L2109479Certificate of AnalysisSep 11, 2024 C287543
Propiedades químicas y físicas
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 41.35, Max Conc. mM: 100
SensibilidadLight sensitive
Peso molecular413.500 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass413.177 Da
Monoisotopic Mass413.177 Da
Topological Polar Surface Area91.900 Ų
Heavy Atom Count29
Formal Charge0
Complexity594.000
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
Citations of This Product
Referencias
1. Yang Guo, Yi-Hong Bao, Yang-Yang Chai.  (2018)  Preparation of microcapsule antioxidative wall materials of pine nut oil by the Maillard reaction.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  99  (6): (2793-2801).  [PMID:30430591] [10.1002/jsfa.9488]
2. Zhan Gao, Lei Zhu, Xinyao Zou, Chunpeng Liu, Bo Tian, Zhen Huang.  (2018)  Soot reduction effects of dibutyl ether (DBE) addition to a biodiesel surrogate in laminar coflow diffusion flames.  PROCEEDINGS OF THE COMBUSTION INSTITUTE,      [PMID:] [10.1016/j.proci.2018.05.083]
3. Kang-Ke Liu, Hao-Ran Liu, Li Wen, Zhou Xu, Li Ding, Yun-Hui Cheng, Mao-Long Chen.  (2024)  Enhancing storage stability of pea peptides through encapsulation in maltodextrin and gum tragacanth via monitoring scavenge ability to free radicals.  INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES,      [PMID:38992543] [10.1016/j.ijbiomac.2024.133736]
Calculadoras de soluciones
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