RG7713
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 571367

CAS#: 920022-47-5

Description: 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

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RG7713
CAS# 920022-47-5

Theoretical Analysis

MedKoo Cat#: 571367
Name: RG7713
CAS#: 920022-47-5
Chemical Formula: C25H28ClN3O2
Exact Mass: 437.19
Molecular Weight: 437.970
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
100mg USD 1450
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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:
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/

Solubility Data

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

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.

Recalculate based on batch purity %
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. 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.

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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. PubMed PMID: 27711048; PubMed Central PMCID: PMC5520775.