MI-1061 - ≥99% , CAS No.1410737-34-6

CAS: 1410737-34-6 Cat. No.: M650198 Molecular Weight: 582.45 PubChem CID: 70677271
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Size
Status
Price
Qty
5mg
M650198-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$700.90
10mg
M650198-10mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,200.90
25mg
M650198-25mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$2,300.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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.

Overview

MI-1061 is a potent, orally bioavailable, and chemically stable MDM2 (MDM2-p53 interaction) inhibitor ( IC 50 =4.4 nM; K i =0.16 nM). MI-1061 potently activates p53 and induces apoptosis in the SJSA-1 xenograft tumor tissue in mice. Anti-tumor activity

In Vitro

MI-1061 achieves IC 50 =100 and 250 nM in the SJSA-1 and HCT-116 p53 +/+ cell lines, respectively, and has IC 50 >10000 nM in the p53 knockout cell line HCT-116 p53 –/– cell line. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

MI-1061 (100 mg/kg; p.o.; daily for 14 days) is capable of achieving tumor regression in the SJSA-1 xenograft tumor model in mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: SCID mice bearing SJSA-1 osteosarcoma xenografts Dosage: 100 mg/kg Administration: P.o.; daily for 14 days Result: Demonstrated strong antitumor activity and achieved significant tumor regression.

Form:Solid

IC50& Target:IC50: 4.4 nM (MDM2),Ki: 0.16 nM (MDM2)

Specifications

Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
MI-1061 is a potent, orally bioavailable, and chemically stable MDM2 (MDM2-p53 interaction) inhibitor ( IC 50 =4.4 nM; K i =0.16 nM). MI-1061 potently activates p53 and induces apoptosis in the SJSA-1 xenograft tumor tissue in mice. Anti-tumor activity [1
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical SmilesC1CCC2(CC1)C3(C(C(N2)C(=O)NC4=CC=C(C=C4)C(=O)O)C5=C(C(=CC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O
InChIKeyBIDSEXPFIMKDMF-LOLKONATSA-N
INCHI1S/C30H26Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-12,15,23,25,36H,1-3,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/m0/s1
Isomeric SMILES C1CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)NC4=CC=C(C=C4)C(=O)O)C5=C(C(=CC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O
PubChem CID 70677271
MeSH Entry Terms 4-(6''-chloro-4'-(3-chloro-2-fluorophenyl)-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-indoline)-5'-carboxamido)benzoic acid;MI-1061
Molecular Weight 582.45

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentAcylaminobenzoic acid and derivatives
Alternative Parents Alpha amino acid amides  Phenylpyrrolidines  Azaspirodecane derivatives  Benzoic acids  Anilides  Indolines  Pyrrolidinecarboxamides  Benzoyl derivatives  N-arylamides  Chlorobenzenes  Fluorobenzenes  Aralkylamines  Aryl chlorides  Aryl fluorides  Pyrroles  Secondary carboxylic acid amides  Amino acids  Lactams  Dialkylamines  Carboxylic acids  Azacyclic compounds  Organofluorides  Hydrocarbon derivatives  Organochlorides  Organic oxides  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Acylaminobenzoic acid or derivatives - Alpha-amino acid amide - 3-phenylpyrrolidine - Alpha-amino acid or derivatives - Azaspirodecane - Indole or derivatives - Dihydroindole - Benzoic acid - Anilide - Benzoyl - N-arylamide - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Aryl chloride - Pyrrole - Pyrrolidine - Carboxamide group - Lactam - Amino acid - Amino acid or derivatives - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
MDM2 Tchem E3 ubiquitin-protein ligase Mdm2 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
MDM2 Tchem p53-binding protein Mdm-2 (4545 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ML-2 (146 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KG-1 (867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-231 (73002 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MV4-11 (7307 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MONO-MAC-6 (495 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RS4-11 (1012 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SIG-M5 (84 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SJSA-1 (970 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLM-14 (399 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MOLM-13 (2241 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mus musculus (284745 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 160 mg/mL (274.70 mM; Need ultrasonic)
Molecular Weight582.400 g/mol
XLogP32.900
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass581.128 Da
Monoisotopic Mass581.128 Da
Topological Polar Surface Area108.000 Ų
Heavy Atom Count40
Formal Charge0
Complexity1000.000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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