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Mivebresib

CAT: 0804-HY-100015-09Size: 1 gDry Ice: NoHazardous: No
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CAT#:0804-HY-100015-09Size:1 g
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Description
Mivebresib (ABBV-075) is a potent and orally active bromodomain and extraterminal domain (BET) bromodomain inhibitor. Mivebresib binds to BRD4 with a Ki of 1.5 nM[1].
CAS Number
1445993-26-9
Product Name Alternative
ABBV-075
UNSPSC
12352005
Hazard Statement
H315, H319, H335
Target
Apoptosis; Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Mivebresib.html
Purity
99.69
Solubility
DMSO : 100 mg/mL (ultrasonic) |H2O : < 0.1 mg/mL (ultrasonic; warming; heat to 60°C)
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
459.47
Precautions
H315, H319, H335
References & Citations
[1]EJ Faivre et al. Abstract 4694: ABBV-075, a novel BET family inhibitor, disrupts critical transcription programs that drive prostate cancer growth to induce potent anti-tumor activity in vitro and in vivo
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

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

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