CAS 873305-35-2 Aim-100 (HCID 11501591)

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Basic information

CAS: 873305-35-2
Standard SMILES: c1ccc(-c2oc3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1
InChIKey: XNFHHOXCDUAYSR-SFHVURJKSA-N
Molecular formula: C23H21N3O2
Average molar mass: 371.4 g/mol
Monoisotopic mass: 371.16337692

Names & identifiers

Preferred name: Aim-100
IUPAC: N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
English name: AIM-100
Molecular formula: C23H21N3O2
Molecular weight: 371.43

Names & synonyms

AIM-100873305-35-2DTXSID20467671furo(2,3-d)pyrimidin-4-amine, 5,6-diphenyl-N-(((2S)-tetrahydro-2-furanyl)methyl)-Furo[2,3-d]pyrimidin-4-amine, 5,6-diphenyl-N-[[(2S)-tetrahydro-2-furanyl]methyl]-RefChem:110300DTXCID10418490(S)-5,6-diphenyl-N-((tetrahydrofuran-2-yl)methyl)furo[2,3-d]pyrimidin-4-amineAIM 100MFCD22417088CHEMBL247070N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine

Show more names

AIM100AIM-100, 10 mM in DMSO(S)-5,6-Diphenyl-N-[(2-tetrahydrofuryl)methyl]furo[2,3-d]pyrimidin-4-amine5,6-Diphenyl-N-[[(2S)-tetrahydro-2-furanyl]methyl]furo[2,3-d]pyrimidin-4-amineTMPRSS2,AIM-100,AIM 100,Inhibitor,Ack1,NKX3.1,TNK2,ATM,Activated Cdc42 kinase 1,Tyr-phosphorylation,PSA,Tyr267,inhibit,anticancer

5,6-Diphenyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]furo[2,3-d]pyrimidin-4-amineN-{[(2S)-oxolan-2-yl]methyl}-5,6-diphenylfuro[2,3-d]pyrimidin-4-amineMLS006010340orb1223781SCHEMBL2965872XNFHHOXCDUAYSR-SFHVURJKSA-NGLXC-15643EX-A3635

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 60.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 28
Formal charge: 0
Complexity: 492

Physicochemical properties

Boiling point: 552.9 · 552.9±50.0 °C(Predicted)
Density: 1.243 · 1.243±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
solubility: 2 O; · insoluble in H2O; ≥35.8 mg/mL in EtOH with gentle warming; ≥36 mg/mL in DMSO with gentle warming
form: Powder
pka: 4.62 · 4.62±0.40(Predicted)
color: White to yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesAIM-100 modulates ligand-independent AR activity and inhibits prostate cell growth.

Suppliers43 total

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

上海冬洋生物科技有限公司0512-13601744364 13601744364

Related reactions

1 records

New reaction record

HRID 502652As productuspto-grants-2010_08

Compound notes

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