GDC-0349

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H32N6O3
Molecular Weight	452.5493
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCNC(=O)NC1=CC=C(C=C1)C2=NC(N3CCOC[C@@H]3C)=C4CCN(CC4=N2)C5COC5

InChI

InChIKey=RGJOJUGRHPQXGF-INIZCTEOSA-N

InChI=1S/C24H32N6O3/c1-3-25-24(31)26-18-6-4-17(5-7-18)22-27-21-12-29(19-14-33-15-19)9-8-20(21)23(28-22)30-10-11-32-13-16(30)2/h4-7,16,19H,3,8-15H2,1-2H3,(H2,25,26,31)/t16-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C24H32N6O3
Molecular Weight	452.5493
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900569

GDC-0349 is a potent and selective ATP-competitive inhibitor of mTOR. GDC-0349 demonstrates pathway modulation and dose-dependent efficacy in mouse xenograft cancer models.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Serine/threonine-protein kinase mTOR 35 Target ID: CHEMBL2842 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900569	Inhibitor 8297		3.8 nM [Ki]

Conditions

Condition	Modality	Targets	Highest Phase	Product
Cancer 592 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24900569	Primary		Phase I 428	Unknown Approved Use Unknown
Non Hodgkin's lymphoma 1 Sources: https://clinicaltrials.gov/ct2/show/record/NCT01356173	Primary		Phase I 428	Unknown Approved Use Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
			inhibitor 1612

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
mTOR 1

Drug as perpetrator

Target	Modality	Activity	Metabolite	Clinical evidence
mTOR 1	inhibitor 3277 Sources: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4027466/	strong [Ki 0.0038 uM]

Tox targets

Target	Modality	Activity	Metabolite	Clinical evidence
hERG 1647	inhibitor 1626 Sources: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4027466/

Sourcing

Vendor/Aggregator	ID	URL
1PlusChem LLC	1P008TX0	https://www.1pchem.com/search?query=1P008TX0
AK Scientific	2427AH	https://aksci.com/item_detail.php?cat=2427AH
AOBIOUS INC	AOB87107	http://aobious.com/aobious/search?search_query=AOB87107
Angene	AGN-PC-0WCMRU	http://www.angenechemical.com/productshow/AGN-PC-0WCMRU.html
ApexBio Technology	A1642	https://www.apexbt.com/catalogsearch/result/?q=A1642
BLD Pharm	BD556704	http://www.bldpharm.com/search/Search.html?keyword=BD556704
BOC Sciences	1207360-89-1	http://www.bocsci.com/description.asp?cas=1207360-89-1
ChemShuttle	109849	https://www.chemshuttle.com/catalogsearch/result/?q=109849
Excenen	EX-A2248	http://www.excenen.com/searchresultlist.php?id=EX-A2248
Matrix Scientific	132331	http://www.matrixscientific.com/132331.html
MedChem Express	HY-15248	https://www.medchemexpress.com/search.html?q=HY-15248&ft=&fa=&fp=
MolPort	MolPort-028-720-439	https://www.molport.com/shop/molecule-link/MolPort-028-720-439
Molnova	M17193	https://www.molnova.com/en/serch-list.html?keywords=M17193
MuseChem	I000774	https://www.musechem.com/product/I000774.html
Selleck Chemicals	S8040	http://www.selleckchem.com/search.html?searchDTO.searchParam=S8040
ShangHai Biochempartner	BCP000741	http://www.biochempartner.com/search_BCP000741
ShangHai Biochempartner	BCP06869	http://www.biochempartner.com/search_BCP06869
TargetMol	T6510	https://www.targetmol.com/search?keyword=T6510
Toronto Research Chemicals	E926310	https://www.trc-canada.com/product-detail/?CatNum=E926310
Toronto Research Chemicals	H942567	https://www.trc-canada.com/product-detail/?CatNum=H942567
eMolecules	275092337	https://orderbb.emolecules.com/search/#?query=275092337
eMolecules	300752920	https://orderbb.emolecules.com/search/#?query=300752920
eMolecules	44811454	https://orderbb.emolecules.com/search/#?query=44811454
eNovation Chemicals	K31313	https://www.enovationchem.com/Products.asp?SEARCHTEXT=K31313&searchbtn.x=0&searchbtn.y=0
mcule	MCULE-3007941471	https://mcule.com/MCULE-3007941471/
mcule	MCULE-6996999827	https://mcule.com/MCULE-6996999827/

PubMed

Title	Date	PubMed
Pyrimidoaminotropanes as potent, selective, and efficacious small molecule kinase inhibitors of the mammalian target of rapamycin (mTOR).	2013 Apr 11	23473235
Discovery and Biological Profiling of Potent and Selective mTOR Inhibitor GDC-0349.	2013 Jan 10	24900569
Autophagy induction contributes to GDC-0349 resistance in head and neck squamous cell carcinoma (HNSCC) cells.	2016 Aug 19	27291151

Patents

Sample Use Guides

In Vivo Use Guide

oral GDC-0349 (10-160 mg/kg) demonstrates dose-dependent efficacy in mouse xenograft cancer models.

Route of Administration: Oral

In Vitro Use Guide

GDC-0349 demonstrates antiproliferative activity in PC3 cells at 270 nM

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:34:50 GMT 2023` Edited by `admin` on `Sat Dec 16 01:34:50 GMT 2023`
Record UNII	579255I6O9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GDC-0349

Common Name

English

Code System Code Type Description

DRUG BANK

DB13072