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NVP-CGM097 - 98%, high purity , CAS No.1313363-54-0

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
N413861
Grouped product items
SKU Size
Availability
 Price Qty
N413861-2mg
2mg
3
$141.90
N413861-5mg
5mg
3
$260.90
N413861-10mg
10mg
3
$438.90
N413861-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$987.90
N413861-50mg
50mg
2
$1,662.90
N413861-100mg
100mg
2
$2,493.90
Wish List
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Mdm2 Inhibitors

View related series
Amino Acid/Protein Metabolism (1836) Apoptosis (4276) E1/E2/E3 Enzyme (112) Intrinsic Pathway (690) MDM-2/p53 (109) Metabolic Enzyme/Protease (4860)

Basic Description

Synonyms AKOS030526402 | BP-10652 | NSC783015 | NSC-783015 | SCHEMBL2391196 | CCG-270337 | Uridine pyrophosphate a-delta-galactopyranosyl ester | BDBM162123 | CGM 097 [WHO-DD] | MFCD28144684 | (1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-(methyl{[trans-4-(4-methyl-3-oxo
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms NVP-CGM097 is a highly potent and selective MDM2 inhibitor with Ki value of 1.3 nM for hMDM2 in TR-FRET assay. It binds to the p53 binding-site of the Mdm2 protein, disrupting the interaction between both proteins, leading to an activation of the p53 path
Storage Temp Store at -20°C
Shipped In
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This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

Information

NVP-CGM097 NVP-CGM097 is a highly potent and selective MDM2 inhibitor with Ki value of 1.3 nM for hMDM2 in TR-FRET assay. It binds to the p53 binding-site of the Mdm2 protein, disrupting the interaction between both proteins, leading to an activation of the p53 pathway.


Targets

hMDM2 (Cell-free assay) 1.7 nM


In vitro

NVP-CGM097 binding to MDM2 is species dependent. It was shown to be selective for the p53:MDM2 interaction compared to the p53:MDM4 interaction (1176-fold selectivity) and the Ras:Raf interaction (3000-fold selectivity). In addition, NVP-CGM097 showed no significant activity against Bcl-2:Bak, Bcl-2:Bad, Mcl-1:Bak, Mcl-1:NOXA, XIAP:BIR3, and c-IAP:BIR3 protein-protein interactions. NVP-CGM097 was able to significantly redistribute wild-type p53 into the cell nucleus with an IC50 of 0.224 μM, demonstrating its ability to inhibit the p53:MDM2 interaction in living cells. NVP-CGM097 treatment leads to p53 nuclear translocation that results in cell growth inhibition in a p53-dependent manner.


In vivo

After iv administration, the total blood clearance (CL) of NVP-CGM097 was 5 mL/min/kg for mouse, 7 mL/min/kg for rat, 3 mL/min/kg for dog, and 4 mL/min/kg for monkey. On the basis of the respective hepatic blood flows, NVP-CGM097 showed a consistent low total blood CL in all species (5-10% of hepatic blood flow). The apparent terminal half-life (t1/2) was long in rodents and monkey (6-12 h) but was comparatively longer in dogs (20 h). After oral dosing, the compound was well absorbed with Tmax occurring between 1 and 4.5 h in all species tested. The oral bioavailability (%F) was high in mouse, rat, and dog and moderate in monkey. NVP-CGM097 was able to inhibit the interaction between p53 and MDM2 and reactivate the p53 pathway in vivo in a MDM2-amplified SJSA-1 human tumor model. p21 mRNA levels were found to increase concomitantly with levels of compound 1 in tumor-bearing rats dosed at 30 mg/kg. Daily treatment with NVP-CGM097 dose dependently and significantly inhibited SJSA-1 tumor growth in rats.


Cell Research(from reference)

Cell lines：Bon1 cells, NCI-H727 cells, Got1 cells 

Concentrations：0.1 nM-2500 nM 

Incubation Time：48 hrs, 96 hrs, 144 hrs or 216 hrs 

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Tetrahydroisoquinolines
Subclass 1-phenyltetrahydroisoquinolines
Intermediate Tree Nodes Not available
Direct Parent 1-phenyltetrahydroisoquinolines
Alternative Parents Isoquinolones and derivatives  Alpha amino acids and derivatives  Aniline and substituted anilines  Anisoles  Dialkylarylamines  Alkyl aryl ethers  Chlorobenzenes  Cyclohexylamines  N-methylpiperazines  Aryl chlorides  Tertiary carboxylic acid amides  Trialkylamines  Lactams  Azacyclic compounds  Carbonyl compounds  Organic oxides  Hydrocarbon derivatives  Organochlorides  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents 1-phenyltetrahydroisoquinoline - Isoquinolone - Alpha-amino acid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Anisole - Phenol ether - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Chlorobenzene - Cyclohexylamine - Halobenzene - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Piperazine - Tertiary carboxylic acid amide - Lactam - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Tertiary amine - Carboxylic acid derivative - Azacycle - Ether - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as 1-phenyltetrahydroisoquinolines. These are compounds containing a phenyl group attached to the C1-atom of a tetrahydroisoquinoline moiety.
External Descriptors Not available

Product Properties

ALogP 6.455
hba_count 4
Rotatable Bond 9

Associated Targets(Human)

CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
XIAP Tchem Inhibitor of apoptosis protein 3 (3673 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDM2 Tchem p53-binding protein Mdm-2 (4545 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SAOS-2 (672 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCT-116 (91556 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BCL2 Tclin Apoptosis regulator Bcl-2 (3787 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 (984 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDM4 Tchem Protein Mdm4 (729 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TP53 Tchem Tumour suppressor p53/oncoprotein Mdm2 (2075 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SJSA-1 (970 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Canis familiaris (36305 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mus musculus (284745 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rhesus monkey (3147 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Plasma (328 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Liver microsome (341 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDM2 E3 ubiquitin-protein ligase Mdm2 (2 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504771113
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771113
IUPAC Name (1S)-1-(4-chlorophenyl)-6-methoxy-2-[4-[methyl-[[4-(4-methyl-3-oxopiperazin-1-yl)cyclohexyl]methyl]amino]phenyl]-7-propan-2-yloxy-1,4-dihydroisoquinolin-3-one
INCHI InChI=1S/C38H47ClN4O4/c1-25(2)47-35-22-33-28(20-34(35)46-5)21-36(44)43(38(33)27-8-10-29(39)11-9-27)32-16-14-30(15-17-32)41(4)23-26-6-12-31(13-7-26)42-19-18-40(3)37(45)24-42/h8-11,14-17,20,22,25-26,31,38H,6-7,12-13,18-19,21,23-24H2,1-5H3/t26?,31?,38-/m0/s1
InChIKey CLRSLRWKONPSRQ-CPOWQTMSSA-N
Smiles CC(C)OC1=C(C=C2CC(=O)N(C(C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C)OC
Isomeric SMILES CC(C)OC1=C(C=C2CC(=O)N([C@H](C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C)OC
Molecular Weight 659.26
Reaxy-Rn 21801063
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21801063&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

6 results found

Lot Number Certificate Type Date Item
G2219852 Certificate of Analysis May 09, 2025 N413861
G2219864 Certificate of Analysis May 09, 2025 N413861
G2219851 Certificate of Analysis May 09, 2025 N413861
G2219863 Certificate of Analysis May 09, 2025 N413861
G2219949 Certificate of Analysis May 09, 2025 N413861
L2412310 Certificate of Analysis Jun 10, 2022 N413861

Chemical and Physical Properties

Solubility Solubility (25°C) In vitro DMSO: 65 mg/mL (98.59 mM); Ethanol: 65 mg/mL (98.59 mM); Water: Insoluble;
DMSO(mg / mL) Max Solubility 65
DMSO(mM) Max Solubility 98.59539484
Water(mg / mL) Max Solubility ＜1
Molecular Weight 659.300 g/mol
XLogP3 6.500
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 9
Exact Mass 658.329 Da
Monoisotopic Mass 658.329 Da
Topological Polar Surface Area 65.600 Ų
Heavy Atom Count 47
Formal Charge 0
Complexity 1040.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

Solution Calculators

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