SAR-407899 HYDROCHLORIDE DIHYDRATE

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H16N2O2.ClH.2H2O
Molecular Weight	316.781
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SAR-407899 HYDROCHLORIDE DIHYDRATE

Structure Search

SMILES

O.O.Cl.O=C1NC=CC2=C1C=CC(OC3CCNCC3)=C2

InChI

InChIKey=NOAORRYIRXPUJV-UHFFFAOYSA-N

InChI=1S/C14H16N2O2.ClH.2H2O/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11;;;/h1-3,8-9,11,15H,4-7H2,(H,16,17);1H;2*1H2

HIDE SMILES / InChI

Molecular Formula	C14H16N2O2
Molecular Weight	244.289
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19597037 | http://adisinsight.springer.com/drugs/800026023

SAR407899 is a potent, ATP-competitive Rho kinase inhibitor. It antihypertensive action in animals. Sanofi is developing SAR 407899 for the treatment of microvascular angina (Syndrome X). It was previously being developed in clinical trials for the treatment of diabetic neuropathies, diabetic nephropathies, erectile dysfunction, pulmonary hypertension, hypertension and kidney disorders, but development was discontinued for those indications.

Originator

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Rho-associated protein kinase 2 25 Target ID: CHEMBL2973 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19597037	Inhibitor 8297		36.0 nM [Ki]
Rho-associated protein kinase 1 20 Target ID: CHEMBL3231 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19597037	Inhibitor 8297		276.0 nM [IC50]

Conditions

Condition	Modality	Highest Phase	Product
Hypertension 567 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19597037 https://www.ncbi.nlm.nih.gov/pubmed/22388233	Primary	Phase I 428	Unknown Approved Use Unknown
Erectile dysfunction 35 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22444253	Primary	Phase II 1132	Unknown Approved Use Unknown
Chronic kidney disease 56 Sources: https://www.ncbi.nlm.nih.gov/pubmed/24244677	Primary	Phase I 428	Unknown Approved Use Unknown
Neuropathic pain 26 Sources: http://adisinsight.springer.com/drugs/800026023	Primary	Phase II 1132	Unknown Approved Use Unknown
Painful diabetic neuropathy 3 Sources: http://adisinsight.springer.com/drugs/800026023	Primary	Phase II 1132	Unknown Approved Use Unknown
Pulmonary hypertension 30 Sources: http://adisinsight.springer.com/drugs/800026023	Primary	Phase I 428	Unknown Approved Use Unknown
Syndrome X (Microvascular angina) 3 Sources: http://adisinsight.springer.com/drugs/800026023	Primary	Phase I 428	Unknown Approved Use Unknown

Overview

CYP3A4	CYP2C9	CYP2D6	hERG
inhibitor 1587	inhibitor 1767	inhibitor 1852

OverviewOther

Other Inhibitor	Other Substrate	Other Inducer
	P-gp 1537

Drug as perpetrator

Target	Modality	Activity
CYP2D6 1891	inhibitor 3277 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645840#sid=363680979	inconclusive [IC50 21.3174 uM]
CYP2C9 1819	inhibitor 3277 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645842#sid=363680979	no
CYP3A4 1925	inhibitor 3277 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1645841#sid=363680979	no

Drug as victim

Target	Modality	Activity	Metabolite	Clinical evidence
P-gp 1537	substrate 3367 Sources: https://pubchem.ncbi.nlm.nih.gov/bioassay/1346987#sid=363680979	no

Sourcing

Vendor/Aggregator	ID	URL
001 Chemical	DY103089	https://www.001chemical.com/chem/search?q=DY103089
1PlusChem LLC	1P00GUN0	https://www.1pchem.com/search?query=1P00GUN0
1PlusChem LLC	1P00GUQ4	https://www.1pchem.com/search?query=1P00GUQ4
AChemBlock	O32419	http://www.achemblock.com/catalogsearch/result/?q=O32419
AChemBlock	Q70245	http://www.achemblock.com/catalogsearch/result/?q=Q70245
AK Scientific	3358AH	https://aksci.com/item_detail.php?cat=3358AH
Angene	AGN-PC-069C1H	http://www.angenechemical.com/productshow/AGN-PC-069C1H.html
ApexBio Technology	B4909	https://www.apexbt.com/catalogsearch/result/?q=B4909
ApexBio Technology	B4910	https://www.apexbt.com/catalogsearch/result/?q=B4910
AstaTech	81037	http://astatechinc.com/CPSResult.php?CRNO=81037
AstaTech	C77162	http://astatechinc.com/CPSResult.php?CRNO=C77162
BLD Pharm	BD316131	http://www.bldpharm.com/search/Search.html?keyword=BD316131
BLD Pharm	BD631014	http://www.bldpharm.com/search/Search.html?keyword=BD631014
Cayman Chemical	21717	http://www.caymanchem.com/app/template/Product.vm/catalog/21717
Chem Scene	CS-3569	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-3569
Chem Scene	CS-3570	http://www.chemscene.com/goproductList/searchProductList?productObj=CS-3570
ChemShuttle	104437	https://www.chemshuttle.com/catalogsearch/result/?q=104437
ChemShuttle	184237	https://www.chemshuttle.com/catalogsearch/result/?q=184237
Debye Scientific	DA-36732	https://www.debyesci.com/index.php?id=product&ext[cno]=DA-36732
Excenen	EX-A2419	http://www.excenen.com/searchresultlist.php?id=EX-A2419
KeyOrganics	AS-56115	http://www.keyorganicsinc.com/bionet/catalogsearch/result?q=AS-56115
Lab Network	LN01342458	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01342458
Lab Network	LN01342628	https://labnetwork.com/frontend-app/p/#!/moleculedetails/LN01342628
Matrix Scientific	120784	http://www.matrixscientific.com/120784.html
MedChem Express	HY-15687	https://www.medchemexpress.com/search.html?q=HY-15687A&ft=&fa=&fp=
MedChem Express	HY-15687A	https://www.medchemexpress.com/search.html?q=HY-15687A&ft=&fa=&fp=
MolPort	MolPort-035-774-022	https://www.molport.com/shop/molecule-link/MolPort-035-774-022
MolPort	MolPort-044-561-882	https://www.molport.com/shop/molecule-link/MolPort-044-561-882
Molcore	MC103089	http://www.molcore.com/CatMC103089.html
MuseChem	I009287	https://www.musechem.com/product/I009287.html
ShangHai Biochempartner	BCP13153	http://www.biochempartner.com/search_BCP13153
ShangHai Biochempartner	BCP20035	http://www.biochempartner.com/search_BCP20035
eMolecules	300758063	https://orderbb.emolecules.com/search/#?query=300758063
eMolecules	44836007	https://orderbb.emolecules.com/search/#?query=44836007
eMolecules	50550836	https://orderbb.emolecules.com/search/#?query=50550836
mcule	MCULE-5566660963	https://mcule.com/MCULE-5566660963/
mcule	MCULE-7192354518	https://mcule.com/MCULE-7192354518/

PubMed

Title	Date	PubMed
Pharmacological characterization of SAR407899, a novel rho-kinase inhibitor.	2009 Sep	19597037
Erectile properties of the Rho-kinase inhibitor SAR407899 in diabetic animals and human isolated corpora cavernosa.	2012 Mar 23	22444253
The Rho kinase inhibitor SAR407899 potently inhibits endothelin-1-induced constriction of renal resistance arteries.	2012 May	22388233
End-organ protection in hypertension by the novel and selective Rho-kinase inhibitor, SAR407899.	2015 Jan 26	25632317

Patents

Sample Use Guides

In Vivo Use Guide

rats: (0.01 to 0.30 mg/kg IV), (orally at 1, 3, 10, and 30 mg/kg)

Route of Administration: Other

In Vitro Use Guide

SAR407899 effectively inhibited THP-1 migration with an IC50 of 2.5 uM

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:44:48 GMT 2023` Edited by `admin` on `Sat Dec 16 10:44:48 GMT 2023`
Record UNII	14I47Q05LE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SAR-407899 HYDROCHLORIDE DIHYDRATE

Code

English

1(2H)-ISOQUINOLINONE, 6-(4-PIPERIDINYLOXY)-, HYDROCHLORIDE, HYDRATE (1:1:2)

Systematic Name

English

Code System Code Type Description

CAS

1417611-24-5

Created by admin on Sat Dec 16 10:44:48 GMT 2023 , Edited by admin on Sat Dec 16 10:44:48 GMT 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

14I47Q05LE

Created by admin on Sat Dec 16 10:44:48 GMT 2023 , Edited by admin on Sat Dec 16 10:44:48 GMT 2023

PRIMARY

PUBCHEM

86675574

Created by admin on Sat Dec 16 10:44:48 GMT 2023 , Edited by admin on Sat Dec 16 10:44:48 GMT 2023

PRIMARY

CAS

1417424-23-7

Created by admin on Sat Dec 16 10:44:48 GMT 2023 , Edited by admin on Sat Dec 16 10:44:48 GMT 2023

PRIMARY

Related Record Type Details


					AD9C9XVB9T

SAR-407899 HYDROCHLORIDE

ANHYDROUS->SOLVATE

Related Record Type Details


					3B974D670O

SAR-407899

ACTIVE MOIETY

Amount:

Details

SMILES

InChI

DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/19597037 | http://adisinsight.springer.com/drugs/800026023

Originator

Approval Year

Targets

Conditions

Approved Use

Approved Use

Approved Use

Approved Use

Approved Use

Approved Use

Approved Use

Overview

OverviewOther

Drug as perpetrator​

Drug as victim

Sourcing

PubMed

Patents

Sample Use Guides

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/19597037 | http://adisinsight.springer.com/drugs/800026023

Drug as perpetrator