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

CAS: 1313363-54-0 Cat. No.: N413861 분자식: C38H47ClN4O4 분자량: 659.26
주문 가능
등급 & 순도 ≥98%
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
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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수량
2mg
N413861-2mg
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US$96.90

US$145.90
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5mg
N413861-5mg
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US$164.90

US$247.90
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10mg
N413861-10mg
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US$241.90

US$362.90
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25mg
N413861-25mg
주문제작 · 8~12주

US$418.90

US$628.90
저장 US$210.00 (33.39%)
50mg
N413861-50mg
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US$754.90

US$1,132.90
저장 US$378.00 (33.37%)
100mg
N413861-100mg
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US$1,357.90

US$2,036.90
저장 US$679.00 (33.33%)
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≥98% 최소한의 기준선 간섭이 필요한 민감한 크로마토그래피 및 분석 워크플로우용.

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보관 및 배송

Store at -20°C Ice chest + Ice pads 출고. 정확한 사양은 로트별 COA를 확인하세요.

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품질 문서

SDS, COA, 데이터시트, 사양서를 다운로드할 수 있습니다. 로트별 COA는 로트 번호 조회를 통해 확인할 수 있습니다.

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문헌적 근거

크로마토그래피, 유기 합성 및 교차 커플링 반응 분야의 동료 심사 논문 0편에서 인용되었습니다.

개요

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 

사양

동의어
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
사양 및 순도
≥98%
생화학 및 생리적 메커니즘
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
보관 조건
Store at -20°C
배송
Ice chest + Ice pads
이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.
작업 유형
INHIBITOR
순수함
≥98%
제품 특성
ALogP
6.455
hba_count
4
회전 가능한 결합
9
이름과 식별자
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504771113
정식 스마일
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
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
InChIKey
CLRSLRWKONPSRQ-CPOWQTMSSA-N
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
이성체 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
분자량
659.26
Reaxy-Rn
21801063
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21801063&ln=

문서

📋 안전 데이터 시트(SDS)

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<<<<<<< HEAD SDS 다운로드 → ======= SDS 다운로드 → >>>>>>> release248-p3

✅ 분석 성적서(COA)

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고급 데이터

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
분류Tetrahydroisoquinolines
Subclass1-phenyltetrahydroisoquinolines
Intermediate Tree Nodes Not available
Direct Parent1-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 FrameworkAromatic 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
설명This 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
3D 구조
상호 작용 화학 구조 모델





관련 대상(인간)
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
XIAP Tchem Inhibitor of apoptosis protein 3 (3673 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDM2 Tchem p53-binding protein Mdm-2 (4545 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SAOS-2 (672 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HCT-116 (91556 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BCL2 Tclin Apoptosis regulator Bcl-2 (3787 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BIRC2 Tchem Baculoviral IAP repeat-containing protein 2 (984 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDM4 Tchem Protein Mdm4 (729 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Tumour suppressor p53/oncoprotein Mdm2 (2075 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SJSA-1 (970 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
관련 대상(비인간)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Canis familiaris (36305 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rhesus monkey (3147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Liver microsome (341 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDM2 E3 ubiquitin-protein ligase Mdm2 (2 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
작용 메커니즘
인증서(CoA, COO, BSE/TSE 및 분석 차트)
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.

7 results found

Lot NumberCertificate Type날짜항목
C2620081C2620081Certificate of AnalysisApr 01, 2026 N413861
G2219851G2219851Certificate of AnalysisMay 09, 2025 N413861
G2219852G2219852Certificate of AnalysisMay 09, 2025 N413861
G2219863G2219863Certificate of AnalysisMay 09, 2025 N413861
G2219864G2219864Certificate of AnalysisMay 09, 2025 N413861
G2219949G2219949Certificate of AnalysisMay 09, 2025 N413861
L2412310L2412310Certificate of AnalysisJun 10, 2022 N413861
화학 및 물리적 특성
용해성Solubility (25°C) In vitro DMSO: 65 mg/mL (98.59 mM); Ethanol: 65 mg/mL (98.59 mM); Water: Insoluble;
DMSO(mg/mL) 최대 용해도65
DMSO(mM) 최대 용해도98.59539484
물(mg/mL) 최대 용해도<1
분자량659.300 g/mol
XLogP36.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass658.329 Da
Monoisotopic Mass658.329 Da
Topological Polar Surface Area65.600 Ų
Heavy Atom Count47
Formal Charge0
Complexity1040.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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