RG7713 | CAS# 920022-47-5 | V1a antagonist

MedKoo Cat#: 571367 | Name: RG7713

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Description:

WARNING: This product is for research use only, not for human or veterinary use.

RG7713 is a vasopressin receptor 1A (V1a) antagonist. RG7713 increases biological motion orienting preference. RG7713 works within the vasopressin systemm, which is implicated in social cognition and social signaling deficits of ASD.

Chemical Structure

RG7713

CAS#920022-47-5

Theoretical Analysis

MedKoo Cat#: 571367

Name: RG7713

CAS#: 920022-47-5

Chemical Formula: C25H28ClN3O2

Exact Mass: 437.1870

Molecular Weight: 437.97

Elemental Analysis: C, 68.56; H, 6.44; Cl, 8.09; N, 9.59; O, 7.31

Price and Availability

Size	Price	Availability	Quantity
10mg	USD 450.00
100mg	USD 1,450.00

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Related CAS #

No Data

Synonym

RG7713; RG 7713; RG-7713; RO5028442; RO 5028442; RO-5028442

IUPAC/Chemical Name

(6-chloro-1-(2-(dimethylamino)ethyl)-1H-indol-3-yl)(3H-spiro[isobenzofuran-1,4'-piperidin]-1'-yl)methanone

InChi Key

QZXVLRCMAHJVIP-UHFFFAOYSA-N

InChi Code

InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3

SMILES Code

CN(C)CCN1C(C=C(Cl)C=C2)=C2C(C(N3CCC4(C(C=CC=C5)=C5CO4)CC3)=O)=C1

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO and chloroform

Shelf Life

>2 years if stored properly

Drug Formulation

This drug may be formulated in DMSO and chloroform

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

RG7713 is a brain-penetrant antagonist of vasopressin V1a receptors (Kis = 1 and 39 nM for the human and mouse receptors, respectively). It is more than 30,000-fold selective for V1 over V2 receptors, as well as over a panel of 120 receptors, ion channels, and enzymes at 3 µM.

In vitro activity:

To be determined

In vivo activity:

In a study of 19 high-functioning adult male subjects with DSM-IV Autistic Disorder, eye-tracking showed an increase in biological motion orienting preference with RG7713 (ES=0.8, p=0.047) and a non-significant improvement in the composite score (ES=0.2, p=0.29). RG7713 reduced ability to detect lust (ES=-0.8, p=0.03) and fear (ES=-0.7, p=0.07) in affective speech recognition. Reference: Neuropsychopharmacology. 2017 Aug;42(9):1914-1923. https://pubmed.ncbi.nlm.nih.gov/28701745/

	Solvent	mg/mL	mM
Solubility
	Chloroform	10.0	22.83
	DMSO	20.0	45.67

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 437.97 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Umbricht D, Del Valle Rubido M, Hollander E, McCracken JT, Shic F, Scahill L, Noeldeke J, Boak L, Khwaja O, Squassante L, Grundschober C, Kletzl H, Fontoura P. A Single Dose, Randomized, Controlled Proof-Of-Mechanism Study of a Novel Vasopressin 1a Receptor Antagonist (RG7713) in High-Functioning Adults with Autism Spectrum Disorder. Neuropsychopharmacology. 2017 Aug;42(9):1914-1923. doi: 10.1038/npp.2016.232. Epub 2016 Oct 6. Erratum in: Neuropsychopharmacology. 2017 Aug;42(9):1924. PMID: 27711048; PMCID: PMC5520775. 2. Ratni H, Rogers-Evans M, Bissantz C, Grundschober C, Moreau JL, Schuler F, Fischer H, Alvarez Sanchez R, Schnider P. 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. doi: 10.1021/jm501745f. Epub 2015 Feb 18. PMID: 25654260.

In vitro protocol:

To be determined

In vivo protocol:

1: Kimi S, Maiti R, Srinivasan A, Mishra BR, Hota D. Efficacy and safety of V1a receptor antagonists in autism spectrum disorder: A meta- analysis. Int J Dev Neurosci. 2024 Feb;84(1):3-13. doi: 10.1002/jdn.10297. Epub 2023 Aug 28. PMID: 37641183. 2: Umbricht D, Del Valle Rubido M, Hollander E, McCracken JT, Shic F, Scahill L, Noeldeke J, Boak L, Khwaja O, Squassante L, Grundschober C, Kletzl H, Fontoura P. A Single Dose, Randomized, Controlled Proof-Of-Mechanism Study of a Novel Vasopressin 1a Receptor Antagonist (RG7713) in High-Functioning Adults with Autism Spectrum Disorder. Neuropsychopharmacology. 2017 Aug;42(9):1924. doi: 10.1038/npp.2017.92. Erratum for: Neuropsychopharmacology. 2017 Aug;42(9):1914-1923. doi: 10.1038/npp.2016.232. PMID: 28701745; PMCID: PMC5520791. 3: Umbricht D, Del Valle Rubido M, Hollander E, McCracken JT, Shic F, Scahill L, Noeldeke J, Boak L, Khwaja O, Squassante L, Grundschober C, Kletzl H, Fontoura P. A Single Dose, Randomized, Controlled Proof-Of-Mechanism Study of a Novel Vasopressin 1a Receptor Antagonist (RG7713) in High-Functioning Adults with Autism Spectrum Disorder. Neuropsychopharmacology. 2017 Aug;42(9):1914-1923. doi: 10.1038/npp.2016.232. Epub 2016 Oct 6. Erratum in: Neuropsychopharmacology. 2017 Aug;42(9):1924. doi: 10.1038/npp.2017.92. PMID: 27711048; PMCID: PMC5520775.