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Basic information
- CAS
1149705-71-4- Standard SMILES
CC[C@@H](C)Nc1cc(C(=O)NC2CC3CCC(C2)N3c2ccc(C(=O)C3CC3)cn2)c(C)cc1C(N)=O- Molecular formula
- C29H37N5O3
- Average molar mass
- 503.64 g/mol
Names & identifiers
- Preferred name
- XL888
- English name
- XL888
- Molecular formula
- C29H37N5O3
- Molecular weight
- 503.64
Names & synonyms
XL888CS-831CS-2629XL888 ，S7122XL 888, >=98%XL888 USP/EP/BPXL888, 10 mM in DMSOXL888XL-888XL 888Heat shock proteins,XL 888,XL888,HSP,XL-888,Inhibitor,inhibit5-(((R)-Sec-butyl)amino)-N1-(8-(5-(cyclopropanecarbonyl)pyridin-2-yl)-8-azabicyclo[3.2.1]octan-3-yl)-2-methylterephthalamide
Database identifiers
- CAS
1149705-71-4- PubChem CID
- 57748689
- ChEMBL
CHEMBL2204502
Properties
Physicochemical properties
- Boiling point
- 695.1 · 695.1±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2 O; · insoluble in H2O; insoluble in EtOH; ≥18.2 mg/mL in DMSO
- form
- solid
- pka
- 14.33 · 14.33±0.20(Predicted)
- color
- Off-white to light yellow
- FDA UNII
- 7 M346920EV · 7M346920EV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesXL888, is a heat shock protein 90 (Hsp90) inhibitor. HSP90, is a chaperone that maintains the functionality of client proteins involved in cell proliferation, cell cycling, and apoptosis.1 XL888 is an ATP-competitive inhibitor of Hsp90.2 Through this action, specific client proteins are degraded, resulting in cell cycle arrest or apoptosis.3,4,5 XL888 is orally bioavailable and shows efficacy in tumor regression in gastric carcinoma and melanoma xenografts in mice
Suppliers66 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
学研惠（武汉）科技有限公司15727060112 · [email protected]
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
Related reactions
0 records
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Compound notes
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