[CAS NO. 1228088-30-9] Balovaptan

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PRODUCTS SPECIFICATIONS [1228088-30-9]

Catalog

HY-109024

Brand

MCE

CAS

1228088-30-9

DESCRIPTION [1228088-30-9]

Overview

MDL	-
Molecular Weight	409.91
Molecular Formula	C22H24ClN5O
SMILES	CN1CC2=NN=C([C@H]3CC[C@H](OC4=NC=CC=C4)CC3)[N@]2[C@]5=CC=C(Cl)C=C5C1

For research use only. We do not sell to patients.

Summary

Balovaptan (RG7314) is an orally available, selective brain-penetrant vasopressin 1a (hV1a) receptor antagonist, with K _i s of 1 and 39 nM for human (hV1a) and mouse (mV1a) receptors, and is used for the research of autism.

IC50 & Target

Ki: 1 nM (hV1a), 39 nM (mV1a) ^[1]

In Vitro

Balovaptan (RG7314) shows >30000-fold selectivity for hV1a over hV2 receptors, 9891-fold selectivity over hOTR (human oxytocin receptor) ^[1] .

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Clinical Trial

NCT Number	Sponsor	Condition	Start Date	Phase
NCT04156646	Hoffmann-La Roche	Autism Spectrum Disorder	November 19, 2019	Phase 1
NCT03808298	Hoffmann-La Roche	Healthy Volunteers	February 7, 2019	Phase 1
NCT01474278	Hoffmann-La Roche	Autistic Disorder	December 2011	Phase 1
NCT05401565	Hoffmann-La Roche	Stress Disorders, Post-Traumatic	June 30, 2022	Phase 2
NCT03912350	Hoffmann-La Roche	Autism Spectrum Disorder	June 26, 2022	Phase 1
NCT03764449	Hoffmann-La Roche	Healthy Volunteers	January 10, 2019	Phase 1
NCT05399550	Hoffmann-La Roche	Acute Ischemic Stroke	June 22, 2022	Phase 2
NCT03579719	Hoffmann-La Roche	Healthy Volunteers	July 10, 2018	Phase 1
NCT03504917	Hoffmann-La Roche	Autism Spectrum Disorder	August 8, 2018	Phase 3
NCT01793441	Hoffmann-La Roche	Autism Spectrum Disorder	September 2013	Phase 2
NCT04049578	Hoffmann-La Roche	Autism Spectrum Disorder	December 19, 2019	Phase 1
NCT02205073	Hoffmann-La Roche	Healthy Volunteer	July 2014	Phase 1
NCT03586726	Hoffmann-La Roche	Healthy Volunteers	July 24, 2018	Phase 1

Appearance

Solid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 62.5 mg/mL ( 152.47 mM ; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.4396 mL	12.1978 mL	24.3956 mL
5 mM	0.4879 mL	2.4396 mL	4.8791 mL
10 mM	0.2440 mL	1.2198 mL	2.4396 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline

Solubility: ≥ 2.08 mg/mL (5.07 mM); Clear solution
2.

Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)

Solubility: ≥ 2.08 mg/mL (5.07 mM); Clear solution
3.

Add each solvent one by one: 10% DMSO >> 90% corn oil

Solubility: ≥ 2.08 mg/mL (5.07 mM); Clear solution

* All of the co-solvents are available by MCE.

References

[1] Ratni H, et al. Discovery of highly selective brain-penetrant vasopressin 1a antagonists for the potential treatment of autism via a chemogenomic and scaffold hopping approach. J Med Chem. 2015 Mar 12;58(5):2275-89.

Synonyms

4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine, 8-chloro-5,6-dihydro-5-methyl-1-[trans-4-(2-pyridinyloxy)cyclohexyl]-

8-Chloro-5,6-dihydro-5-methyl-1-[trans-4-(2-pyridinyloxy)cyclohexyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine

Balovaptan

RG 7314