AZD 5153 - CAS 1869912-39-9

Catalog:	BB014385
Product Name:	AZD 5153
CAS:	1869912-39-9
Synonyms:	AZD-5153; AZD5153; (R)-4-(2-(4-(1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl)phenoxy)ethyl)-1,3-dimethylpiperazin-2-one

Catalog	Size	Price	Stock	Quantity
BB014385	25 mg	$498	In stock

Add to cart Inquiry

Technical Data

Related CAS:	1869912-40-2 (HNT salt)
IUPAC Name:	(3R)-4-[2-[4-[1-(3-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]phenoxy]ethyl]-1,3-dimethylpiperazin-2-one
Description:	AZD5153 is a potent, selective, and orally available inhibitor of the bromodomain and extraterminal (BET). It can simultaneously bind two bromodomains in BRD4 with the IC50 value of 5 nM, which has been shown to increase antitumor activity in multiple xenograft models of acute myeloid leukemia, multiple myeloma, and diffuse large B cell lymphoma. AZD5153 also shows enhanced potency as a result of bivalent binding and a clear correlation between BRD4 activity and cellular potency.
Molecular Weight:	479.57
Molecular Formula:	C25H33N7O3
Canonical SMILES:	CC1C(=O)N(CCN1CCOC2=CC=C(C=C2)C3CCN(CC3)C4=NN5C(=NN=C5OC)C=C4)C
InChI:	InChI=1S/C25H33N7O3/c1-18-24(33)29(2)14-15-30(18)16-17-35-21-6-4-19(5-7-21)20-10-12-31(13-11-20)23-9-8-22-26-27-25(34-3)32(22)28-23/h4-9,18,20H,10-17H2,1-3H3/t18-/m1/s1
InChI Key:	RSMYFSPOTCDHHJ-GOSISDBHSA-N
Purity:	98%
Density:	1.34±0.1 g/cm3 (Predicted)
Solubility:	Soluble to ≤20 mg/ml in ethanol, to 20 mg/ml in DMSO.
Appearance:	Crystalline solid
Storage:	Store at -20 °C
LogP:	1.99900

Publication Number	Title	Priority Date
WO-2021140478-A1	Combination therapy for treating cancer	20200109
WO-2021127043-A1	Combinations	20191220
US-2021113701-A1	Brush prodrugs and uses thereof	20191016
WO-2021074769-A1	Combination therapy for treating a hematological malignancy	20191014
WO-2021044061-A1	Treatment of tumors by a combination of an oncolytic adenovirus, a cdk4/6 inhibitor and a further therapeutically active agent	20190905

Complexity:	699
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	479.26448794
Formal Charge:	0
Heavy Atom Count:	35
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	479.26448794
Rotatable Bond Count:	7
Topological Polar Surface Area:	88.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4