Empesertib

CAT: 0013-GTR19166013-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19166013-02Size:5 mg

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Description

Empesertib (BAY 1161909) is a potent and selective oral Mps1 inhibitor (IC50 < 1 nM) with antineoplastic potential. It is used in cancer research to study mitotic checkpoint inhibition, demonstrating antitumor activity in both cellular assays and in vivo xenograft models.

CAS Number

1443763-60-7

Product Name Alternative

BAY 1161909, BAY1161909, BAY-1161909, Empesertib, Inhibitor, inhibit, Mps1, Monopolar spindle 1

Field of Research

Signal Transduction

Purity

97.45% (May vary between batches)

Solubility

DMSO:10 mg/mL (17.87 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.79 mM)

Smiles

COc1cc (ccc1Nc1nc2ccc (cn2n1) -c1ccc (NC (=O) [C@H] (C) c2ccc (F) cc2) cc1) S (C) (=O) =O

Molecular Formula

C29H26FN5O4S

Molecular Weight

559.61

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Empesertib

Empesertib is a small molecule drug. The usage of the INN stem '-sertib' in the name indicates that Empesertib is a serine/threonine kinase inhibitor. Empesertib is under investigation in clinical trial NCT02138812 (Phase I Dose Escalation of Oral BAY1161909 in Combination With Intravenous Paclitaxel). Empesertib has a monoisotopic molecular weight of 559.17 Da.

CAS Number	1443763-60-7
PubChem CID	71599640
IUPAC Name	(2R)-2-(4-fluorophenyl)-N-[4-[2-(2-methoxy-4-methylsulfonylanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
Molecular Formula	C29H26FN5O4S
Molecular Weight	559.6
XLogP	4.9
Topological Polar Surface Area	123
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	40
Formal Charge	0
Complexity	951

SMILES

C[C@H](C1=CC=C(C=C1)F)C(=O)NC2=CC=C(C=C2)C3=CN4C(=NC(=N4)NC5=C(C=C(C=C5)S(=O)(=O)C)OC)C=C3

InChI

InChI=1S/C29H26FN5O4S/c1-18(19-4-9-22(30)10-5-19)28(36)31-23-11-6-20(7-12-23)21-8-15-27-33-29(34-35(27)17-21)32-25-14-13-24(40(3,37)38)16-26(25)39-2/h4-18H,1-3H3,(H,31,36)(H,32,34)/t18-/m1/s1

InChIKey

NRJKIOCCERLIDG-GOSISDBHSA-N

Chemical Structure

2D Structure

CAS: 1443763-60-7

CID: 71599640

Formula: C29H26FN5O4S

MW: 559.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	559.6
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	559.16895366
Monoisotopic Mass	559.16895366
Topological Polar Surface Area	123 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	951
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3846028-01	Empesertib
A21601-50	Empesertib 50mg
A21601-10	Empesertib 10mg
A21601-200	Empesertib 200mg
C13269-5mg	Empesertib (BAY1161909)
A21601-100	Empesertib 100mg
A21601-1	Empesertib 1mg
A21601-25	Empesertib 25mg
A21601-5	Empesertib 5mg
M21766-01	Empesertib (BAY 1161909)

Empesertib

Chemical Information

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