Dalpiciclib

CAT: 0804-HY-114338-04Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-114338-04Size:50 mg

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Description

Dalpiciclib (SHR-6390) is an orally active and highly selective inhibitor of CDK4 and 6 with IC50 values of 12.4 nM and 9.9 nM, respectively[1][2]. Dalpiciclib shows antitumor activity against breast cancer and esophageal squamous cell carcinoma[1][2][3][4].

CAS Number

1637781-04-4

Product Name Alternative

SHR-6390

UNSPSC

12352005

Hazard Statement

H302, H315, H319

Target

CDK

Type

Reference compound

Related Pathways

Cell Cycle/DNA Damage

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/dalpiciclib.html

Purity

99.70

Solubility

1 M HCl : 5 mg/mL (ultrasonic; warming; heat to 60°C) |DMSO : 50 mg/mL (ultrasonic; warming; adjust pH to 7 with 1 M HCl; heat to 60°C)

Smiles

O=C1C(C(C)=O)=C(C)C2=C(N1C3CCCC3)N=C(NC4=NC=C(C5CCNCC5)C=C4)N=C2

Molecular Formula

C25H30N6O2

Molecular Weight

446.54

Precautions

H302, H315, H319

References & Citations

[1]Jose Manuel Perez-Garcia, et al. Perez-Garcia JM, Cortes J, Llombart-Cussac A. CDK4/6 inhibitors in breast cancer: spotting the difference. Nat Med. 2021 Nov;27 (11) :1868-1869.|[2]Pin Zhang, et al. A phase 1 study of dalpiciclib, a cyclin-dependent kinase 4/6 inhibitor in Chinese patients with advanced breast cancer. Biomark Res. 2021 Apr 12;9 (1) :24.|[3]Jiayuan Wang, et al. CDK4/6 inhibitor-SHR6390 exerts potent antitumor activity in esophageal squamous cell carcinoma by inhibiting phosphorylated Rb and inducing G1 cell cycle arrest. J Transl Med. 2017 Jun 2;15 (1) :127.|[4]Fei Long, et al. Preclinical characterization of SHR6390, a novel CDK 4/6 inhibitor, in vitro and in human tumor xenograft models. Cancer Sci. 2019 Apr;110 (4) :1420-1430.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

Launched

Isoform

CDK4; CDK6

Chemical Information

Dalpiciclib

Dalpiciclib is a cyclin-dependent kinase (CDK) inhibitor with potential antineoplastic activity. Upon administration, dalpiciclib selectively inhibits cyclin-dependent kinase 4 (CDK4) and 6 (CDK6). This inhibits retinoblastoma (Rb) protein phosphorylation early in the G1 phase, which prevents CDK-mediated G1-S phase transition and leads to cell cycle arrest. This suppresses DNA replication and decreases tumor cell proliferation. CDK4 and 6 are serine/threonine kinases that are upregulated in many tumor cell types and play a key role in the regulation of cell cycle progression.

CAS Number	1637781-04-4
PubChem CID	86279927
IUPAC Name	6-acetyl-8-cyclopentyl-5-methyl-2-[(5-piperidin-4-yl-2-pyridinyl)amino]pyrido[2,3-d]pyrimidin-7-one
Molecular Formula	C25H30N6O2
Molecular Weight	446.5
XLogP	2.5
Topological Polar Surface Area	100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	773

SMILES

CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)C4CCNCC4)C5CCCC5)C(=O)C

InChI

InChI=1S/C25H30N6O2/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30)

InChIKey

SGJLSPUSUBJWHO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1637781-04-4

CID: 86279927

Formula: C25H30N6O2

MW: 446.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	446.5
XLogP3	2.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	446.24302422
Monoisotopic Mass	446.24302422
Topological Polar Surface Area	100 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	773
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
T9636-01	Dalpiciclib
T63199-01	Dalpiciclib hydrochloride
GTR19273263-01	Dalpiciclib isethionate
535189	Dalpiciclib free base

Dalpiciclib

Chemical Information

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