Rintodestrant

CAT: 0804-HY-137449-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-137449-03Size:10 mg

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Description

Rintodestrant (G1T48) is an orally active, non-steroidal and selective estrogen receptor degrader. Rintodestrant (G1T48) is also a CDK4/6 inhibitor[1].

CAS Number

2088518-51-6

Product Name Alternative

G1T48

UNSPSC

12352005

Target

CDK; Estrogen Receptor/ERR

Type

Reference compound

Related Pathways

Cell Cycle/DNA Damage; Vitamin D Related/Nuclear Receptor

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

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

Concentration

10mM

Purity

99.91

Solubility

DMSO : 50 mg/mL (ultrasonic)

Smiles

O=C(C(C(C)=CC(F)=C1)=C1C)C(SC2=C3)=C(C2=CC=C3O)OC(C=C4)=CC=C4/C=C/C(O)=O

Molecular Formula

C26H19FO5S

Molecular Weight

462.49

References & Citations

[1]Kaitlyn J Andreano, et al. G1T48, an oral selective estrogen receptor degrader, and the CDK4/6 inhibitor lerociclib inhibit tumor growth in animal models of endocrine-resistant breast cancer. Breast Cancer Res Treat. 2020 Apr;180 (3) :635-646.

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

Rintodestrant

Rintodestrant is a small molecule drug. Rintodestrant is under investigation in clinical trial NCT03455270 (G1T48, an Oral SERD, Alone and in Combination With Palbociclib in ER-Positive, HER2-Negative Advanced Breast Cancer). Rintodestrant has a monoisotopic molecular weight of 462.09 Da.

CAS Number	2088518-51-6
PubChem CID	129205616
IUPAC Name	(E)-3-[4-[[2-(4-fluoro-2,6-dimethylbenzoyl)-6-hydroxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
Molecular Formula	C26H19FO5S
Molecular Weight	462.5
XLogP	6.6
Topological Polar Surface Area	112
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	724

SMILES

CC1=CC(=CC(=C1C(=O)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)/C=C/C(=O)O)C)F

InChI

InChI=1S/C26H19FO5S/c1-14-11-17(27)12-15(2)23(14)24(31)26-25(20-9-6-18(28)13-21(20)33-26)32-19-7-3-16(4-8-19)5-10-22(29)30/h3-13,28H,1-2H3,(H,29,30)/b10-5+

InChIKey

KOAITBOFZOEDOC-BJMVGYQFSA-N

Chemical Structure

2D Structure

CAS: 2088518-51-6

CID: 129205616

Formula: C26H19FO5S

MW: 462.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	462.5
XLogP3	6.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	462.09372304
Monoisotopic Mass	462.09372304
Topological Polar Surface Area	112 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	724
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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