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Umbralisib hydrochloride - 98%, high purity , CAS No.1532533-78-0

COA

Grade & Purity:

≥98%

Cas Number: 1532533-78-0
Molecular Weight: 608.01
PubChem CID: 90030289

In stock

Item Number

U651623

Grouped product items
SKU	Size	Availability	Price
U651623-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$120.90
U651623-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$220.90
U651623-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$440.90
U651623-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$580.90
U651623-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$990.90

View related series

Casein Kinase (72) Cell Cycle (2830) Cell Cycle/DNA Damage (2602) PI3K (243) PI3K/Akt/mTOR (765) Stem Cell/Wnt (1019)

Basic Description

Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	Umbralisib (TGR-1202) hydrochloride is an orally active, potent and selective dual PI3Kδ and casein kinase-1-ε ( CK1ε ) inhibitor, with EC 50 of 22.2 nM and 6.0 μM, respectively. Umbralisib hydrochloride exhibits unique immunomodulatory effects on chronic
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Umbralisib (TGR-1202) hydrochloride is an orally active, potent and selective dual PI3Kδ and casein kinase-1-ε ( CK1ε ) inhibitor, with EC 50 of 22.2 nM and 6.0 μM, respectively. Umbralisib hydrochloride exhibits unique immunomodulatory effects on chronic lymphocytic leukemia (CLL) T cells. Umbralisib hydrochloride can be used for haematological malignancies reseach In Vitro Umbralisib hydrochloride causes a half-maximal inhibition of human whole blood CD19 cell proliferation between 100-300 nM. Umbralisib hydrochloride (10 nM-100 μM) inhibits phosphorylated AKT at Ser473 in a concentration-dependent manner in human lymphoma and leukemia cell lines . Umbralisib hydrochloride (15-50 μM) potently represses the expression of c-Myc in the DLBCL cell line LY7, and is uniquely characterized with structural features suitable for targeting CK1ε in lymphoma cells . MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo Umbralisib hydrochloride (150 mg/kg, daily p.o.) significantly shrinks the tumors by day 25 in a subcutaneous xenograft model of T-cell acute lymphoblastic leukemia (T-ALL) in NOD/SCID mice using the MOLT-4 cell line. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:PI3Kδ 22.2 nM (EC 50 ) PI3Kδ 6.2 nM (Kd) PI3Kγ 1400 nM (Kd) PI3Kβ >10000 nM (Kd) PI3Kα >10000 nM (Kd)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Isoflavonoids
    - Subclass Isoflav-2-enes

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Isoflavonoids
Subclass	Isoflav-2-enes
Intermediate Tree Nodes	Not available
Direct Parent	Isoflavones
Alternative Parents	Chromones Phenylpyrazoles Pyrazolo[3,4-d]pyrimidines Phenol ethers Phenoxy compounds Alkyl aryl ethers Fluorobenzenes Pyranones and derivatives Aminopyrimidines and derivatives Imidolactams Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organofluorides Organic oxides Hydrochlorides Hydrocarbon derivatives Primary amines
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Isoflavone - Chromone - Phenylpyrazole - Benzopyran - 1-benzopyran - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Aminopyrimidine - Pyranone - Alkyl aryl ether - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Imidolactam - Pyran - Benzenoid - Pyrimidine - Heteroaromatic compound - Pyrazole - Azole - Organoheterocyclic compound - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-[(1S)-1-[4-amino-3-(3-fluoro-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-6-fluoro-3-(3-fluorophenyl)chromen-4-one;hydrochloride
INCHI	InChI=1S/C31H24F3N5O3.ClH/c1-15(2)41-24-9-7-18(12-22(24)34)27-26-30(35)36-14-37-31(26)39(38-27)16(3)29-25(17-5-4-6-19(32)11-17)28(40)21-13-20(33)8-10-23(21)42-29;/h4-16H,1-3H3,(H2,35,36,37);1H/t16-;/m0./s1
InChIKey	QGVUVMVWYWMZIR-NTISSMGPSA-N
Smiles	CC(C)OC1=C(C=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)C4=C(C(=O)C5=C(O4)C=CC(=C5)F)C6=CC(=CC=C6)F)F.Cl
Isomeric SMILES	C[C@@H](C1=C(C(=O)C2=C(O1)C=CC(=C2)F)C3=CC(=CC=C3)F)N4C5=NC=NC(=C5C(=N4)C6=CC(=C(C=C6)OC(C)C)F)N.Cl
PubChem CID	90030289
Molecular Weight	608.01

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : ≥ 150 mg/mL (246.71 mM) H2O : <0.1 mg/mL (ultrasonic;warming;heat to 60°C) (insoluble)
Molecular Weight	608.000 g/mol
XLogP3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	6
Exact Mass	607.16 Da
Monoisotopic Mass	607.16 Da
Topological Polar Surface Area	105.000 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1020.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

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