Name: RO8994 - 10mM in DMSO , CAS No.1309684-94-3
SKU: R421203
Availability: InStock

RO8994 - 10mM in DMSO , CAS No.1309684-94-3

CAS: 1309684-94-3 Cat. No.: R421203 분자식: C₃₁H₃₁Cl₂FN₄O₄ 분자량: 613.51 PubChem CID: 53238217

개요 Specifications 이름과 식별자 Documentation Advanced Data Taxonomic Classification 3D 구조 관련 대상(인간) 관련 대상(비인간) 작용 메커니즘 인증서(CoA, COO, BSE/TSE 및 분석 차트) 화학 및 물리적 특성 솔루션 계산기 리뷰

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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

개요

Information

RO8994 is a potent and selective spiroindolinone small-molecule MDM2 inhibitor with IC50 of 5 nM and 20 nM in HTRF binding assays and MTT proliferation assays, respectively.

Specifications

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

RO8994 is a potent and selective spiroindolinone small-molecule MDM2 inhibitor with IC50 of 5 nM and 20 nM in HTRF binding assays and MTT proliferation assays, respectively.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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이름과 식별자

Pubchem Sid	528766906
정식 스마일	CC(C)(C)CC1C2(C(C(N1)C(=O)NC3=C(C=C(C=C3)C(=O)N)OC)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O
IUPAC Name	(2'R,3R,3'S,5'S)-N-(4-carbamoyl-2-methoxyphenyl)-6-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
InChIKey	MURAVORBGFDSMA-ISKXDESKSA-N
INCHI	1S/C31H31Cl2FN4O4/c1-30(2,3)14-23-31(18-10-9-16(32)13-21(18)37-29(31)41)24(17-6-5-7-19(33)25(17)34)26(38-23)28(40)36-20-11-8-15(27(35)39)12-22(20)42-4/h5-13,23-24,26,38H,14H2,1-4H3,(H2,35,39)(H,36,40)(H,37,41)/t23-,24-,26+,31+/m0/s1
이성체 SMILES	CC(C)(C)C[C@H]1[C@@]2([C@H]([C@@H](N1)C(=O)NC3=C(C=C(C=C3)C(=O)N)OC)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O
PubChem CID	53238217
분자량	613.51

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

Kingdom Organic compounds
- Superclass Benzenoids
  - 분류 Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
분류	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Acylaminobenzoic acid and derivatives
Alternative Parents	Alpha amino acid amides Phenylpyrrolidines Benzamides Indolines Methoxyanilines Anilides Benzoyl derivatives Anisoles Pyrrolidinecarboxamides Methoxybenzenes N-arylamides Phenoxy compounds Fluorobenzenes Chlorobenzenes Aralkylamines Alkyl aryl ethers Aryl fluorides Aryl chlorides Pyrroles Lactams Secondary carboxylic acid amides Primary carboxylic acid amides Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Indole or derivatives - Dihydroindole - Benzamide - Anilide - Methoxyaniline - Phenoxy compound - Methoxybenzene - Benzoyl - N-arylamide - Anisole - Phenol ether - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Chlorobenzene - Aralkylamine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl fluoride - Aryl halide - Pyrrole - Pyrrolidine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Primary carboxylic acid amide - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Ether - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
설명	This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.
External Descriptors	Not available
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

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리뷰

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분자량	613.500 g/mol
XLogP3	5.000
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	612.171 Da
Monoisotopic Mass	612.171 Da
Topological Polar Surface Area	123.000 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	1040.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
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