Basic information
- CAS
1818393-16-6- Standard SMILES
CCN1[C@@H](C(=O)NC23CCC(C(=O)O)(CC2)CC3)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C12CCCCC2- InChIKey
YJCZPJQGFSSFOL-MNZPCBJKSA-N- Molecular formula
- C34H38Cl2FN3O4
- Average molar mass
- 642.6 g/mol
- Monoisotopic mass
- 641.2223403
Overview
Alrizomadlin is a novel MDM2 inhibitor that blocks the interaction of MDM2 and p53. It is being investigated in cancers.
Names & identifiers
- Preferred name
- Alrizomadlin
- English name
- AA-115 (APG-115)
- Molecular formula
- C34H38Cl2FN3O4
- Molecular weight
- 642.59
Names & synonyms
Alrizomadlin1818393-16-6APG-115AA-115APG 11515QAU0SI9JAPG 115 [WHO-DD]ALRIZOMADLIN [INN]Bicyclo(2.2.2)octane-1-carboxylic acid, 4-((((3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-1'',2''-dihydro-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-(3H)indol)-5'-yl)carbonyl)amino)-4-((3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro(cyclohexane-1,2'-pyrrolidine-3',3''-indoline)-5'-carboxamido)bicyclo (2.2.2)octane-1-carboxylic acid4-((3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)bicyclo [2.2.2]octane-1-carboxylic acidRefChem:555989
Show more names
AA-115 (APG-115)APG-115 (Alrizomadlin)Alrizomadlin, 10 mM in DMSOAlrizomadlin/APG-115/AA-115AA 115， APG 115， Alrizomadlin
MDM2-p53 Inhibitor APG-115p53-HDM2 Protein-protein Interaction Inhibitor APG-115(3'R,4'S,5'R)-4-((6-CHLORO-2-OXO-1,2-DIHYDRO-SPIRO(INDOLE-3,3'-PYRROLIDIN)E-4'-(3-CHLORO-2-FLUORO-PHENYL)-1'-ETHYL-SPIRO(CYCLOHEXANE-1,2'-PYRROLIDINE)-5'-CARBONYL)-AMINO)-BICYCLO(2.2.2)OCTANE-1-CARBOXYLIC ACID4-((3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-1'-ethyl-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)bicyclo[2.2.2]octane-1-carboxylic acidAPG115CHEMBL4091801MS-30927(3'R,4'S,5'R)-4-((6-Chloro-2-oxo-1,2-dihydro-spiro(indole-3,3'-pyrrolidin)E-4'-(3-chloro-2-fluoro -phenyl)-1'-ethyl-spiro(cyclohexane-1,2'-pyrrolidine)-5'-carbonyl)-amino)-bicyclo(2.2.2)octane-1-carboxylic acid
Database identifiers
- CAS
1818393-16-6- PubChem CID
- 91972012
- ChEMBL
CHEMBL4091801- UNII
- 15QAU0SI9J
- EC Number
- 892-790-6
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,160
Physicochemical properties
- Boiling point
- 805.8 · 805.8±65.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 4.76 · 4.76±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- InChIKey
- YJCZPJQGFSSFOL-MNZPCBJKSA-N
- SMILES
- C12(C(O)=O)CCC(NC([C@@H]3N(CC)C4([C@]5(C6=C(NC5=O)C=C(Cl)C=C6)[C@H]3C3=CC=CC(Cl)=C3F)CCCCC4)=O)(CC1)CC2
- FDA UNII
- 15 QAU0SI9J · 15QAU0SI9J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesAPG 115 is used in the treatment and prevention of osteoarthritis.
Suppliers32 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Aladdin Scientific[email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海楼岚生物科技有限公司021-52996696，15000506266 15000506266
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
风咏生物（AbMole）021-10000000 13000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
郑州汇聚化工有限公司037155153829 18003835034 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
HANGZHOU CLAP TECHNOLOGY CO.,LTD86-571-88216897,88216896 13588875226 · [email protected]
郑州灏德医药科技有限公司18037386321 · [email protected]
上海传芊化工科技中心15869524721 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
武汉鑫晟阳生物科技有限公司18402740988 18402740988 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
Related reactions
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Compound notes
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