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Mivebresib

CAT: 0013-GTR19163207-03Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19163207-03Size:1 g
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Description
Mivebresib (ABBV-075) is a potent and orally available BET bromodomain inhibitor with Ki of 1.0, 12.2, 1.5, and 2.2 nM for BRD2, BRD3, BRD4 and BRDT, respectively; displays 54-fold selectivity over EP300, has potential weak activity against SMARCA4 (70% inhibition at 1 uM), Kd >1 uM for 18 other bromodomains; exhibits inhibition of c-Myc expression and displacing BRD4 from the Myc promoter; dose-dependently inhibits IL-6 concentration in a murine model of LPS-induced endotoxic shock, shows vivo antitumor efficacy in a Kasumi-1 AML mouse xenograft model.Breast Cancer Phase 1 Clinical (In Vitro) :Mivebresib inhibit DHT-stimulated transcription of AR target genes without significant effect on AR protein expression. In addition to blocking the transcription activation downstream of AR, Mivebresib is also a potent inhibitor of MYC and the TMPRSS2-ETS fusion proteins.
CAS Number
1445993-26-9
Product Name Alternative
ABBV-075 | ABBV075
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 37 mg/mL
Smiles
CCS (=O) (NC1=CC=C (OC2=CC=C (F) C=C2F) C (C3=CN (C) C (C4=C3C=CN4) =O) =C1) =O
Molecular Formula
C22H19F2N3O4S
Molecular Weight
459.4658
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Ethanesulfonamide, N-[4- (2,4-difluorophenoxy) -3- (6,7-dihydro-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl) phenyl]-

Chemical Information

Mivebresib

Mivebresib is a small molecule drug. The usage of the INN stem '-bresib' in the name indicates that Mivebresib is a inhibitor of the bromodomain and extra-terminal motif (BET) family of bromodomain (BRD) protein, antineoplastic. Mivebresib is under investigation in clinical trial NCT04480086 (Safety and Tolerability Study of Mivebresib Tablet Alone or in Combination With Ruxolitinib Tablet or Navitoclax Tablet in Adult Participants With Myelofibrosis). Mivebresib has a monoisotopic molecular weight of 459.11 Da.

CAS Number1445993-26-9
PubChem CID71600087
IUPAC NameN-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide
Molecular FormulaC22H19F2N3O4S
Molecular Weight459.5
XLogP2.9
Topological Polar Surface Area99.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity834
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C
InChI
InChI=1S/C22H19F2N3O4S/c1-3-32(29,30)26-14-5-7-19(31-20-6-4-13(23)10-18(20)24)16(11-14)17-12-27(2)22(28)21-15(17)8-9-25-21/h4-12,25-26H,3H2,1-2H3
InChIKey
RDONXGFGWSSFMY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mivebresib
CAS: 1445993-26-9
CID: 71600087
Formula: C22H19F2N3O4S
MW: 459.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.5
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass459.10643359
Monoisotopic Mass459.10643359
Topological Polar Surface Area99.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity834
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2770-2Mivebresib
HY-169980Mivebresib-alkyne
MBS3842201-01Mivebresib (ABBV-075)
HY-100015R-01Mivebresib (Standard)
A17226-50Mivebresib (ABBV-075) 50mg

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