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ChemicalBook--->CAS DataBase List--->202590-98-5

202590-98-5

202590-98-5 Structure

202590-98-5 Structure
IdentificationBack Directory
[Name]

OTX015
[CAS]

202590-98-5
[Synonyms]

OTX015
MK8628
MK-8628
OTX-015
OTX 015
MK 8628
OTX015(OTX-015)
(S)-4-(4-Chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide
(6S)-4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide
6H-Thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6S)-
(S)-4-(4-Chlorophenyl)-N-(4-hydroxyphenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide OTX-015
[Molecular Formula]

C25H22ClN5O2S
[MDL Number]

MFCD26960949
[MOL File]

202590-98-5.mol
[Molecular Weight]

491.992
Chemical PropertiesBack Directory
[Melting point ]

220 °C
[density ]

1.45±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

≥24.6 mg/mL in DMSO; insoluble in H2O; ≥106 mg/mL in EtOH with gentle warming
[form ]

powder
[pka]

10.05±0.26(Predicted)
[color ]

white to light brown
[InChIKey]

GNMUEVRJHCWKTO-FQEVSTJZSA-N
[SMILES]

N12C(C)=NN=C1[C@H](CC(NC1=CC=C(O)C=C1)=O)N=C(C1=CC=C(Cl)C=C1)C1C(C)=C(C)SC=12
Safety DataBack Directory
[HS Code ]

2934.99.3900
Questions And AnswerBack Directory
[Description]

OTX015 is a potent BET bromodomain inhibitor with EC50 ranging from 10 to 19 nM for BRD2, BRD3, and BRD4 in cell-free assays. Phase 1.
[Features]

Orally bioavailable BRD2/3/4-selective inhibitor that has been tested in Phase I clinical trials for treatment of Haematological Malignancies.
[In vitro]

OTX015 inhibits the binding of BRD2, BRD3, and BRD4 to AcH4 with IC50 ranging from 92 to 112 nM, and inhibits the growth of a variety of human cancer cell lines with GI50 ranging from 60 to 200 nM. OTX015 results in rapid down-regulation of c-MYC expression, and show the synergistic anti-proliferative effects in combination with ALK inhibitors in ALKpos ALCL cell lines.
[In vivo]

OTX015 (p.o.) significantly inhibits the growth of Ty82 BRD-NUT midline carcinoma tumors in nude mice by 79% at 100 mg/kg qd and 61% at 10 mg/kg bid, respectively.
Hazard InformationBack Directory
[Uses]

(S)-2-(4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-(4-hydroxyphenyl)acetamide is an orally bioavailable, inhibitor of BRD2, BRD3, and BRD4 to AcH4 and shows anti-tumor activity in vitro and in vivo tumor models.
[Definition]

ChEBI: 6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-6-acetamide, 4-(4-chlorophenyl)-n-(4-hydroxyphenyl)-2,3,9-trimethyl-, (6s)- is an organonitrogen heterocyclic compound and an organosulfur heterocyclic compound.
[Biochem/physiol Actions]

It binds to bromodomain and extra-terminal domain (BET) proteins and inhibits their binding to the chromatin. This in turn prevents gene transcription. OTX015 has been shown to inhibit proliferation of cells in haematological malignancies.
[target]

BRD2
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

OTX015(202590-98-5)1HNMR
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