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MedKoo Cat#: 565232 | Name: DCAI Hydrochloride
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Description:

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

DCAI hydrochloride is an inhibitor of nucleotide exchange and nucleotide release, by binding to the pocket adjacent to the Ras-SOS interface.

Chemical Structure

DCAI Hydrochloride
DCAI Hydrochloride
CAS#1049742-84-8 (HCl)

Theoretical Analysis

MedKoo Cat#: 565232

Name: DCAI Hydrochloride

CAS#: 1049742-84-8 (HCl)

Chemical Formula: C11H13Cl3N2

Exact Mass: 0.0000

Molecular Weight: 279.59

Elemental Analysis: C, 47.26; H, 4.69; Cl, 38.04; N, 10.02

Price and Availability

Size Price Availability Quantity
100mg USD 750.00 2 Weeks
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Related CAS #
299165-92-7 (free base) 1049742-84-8 (HCl)
Synonym
DCAI hydrochloride; DCAI HCl
IUPAC/Chemical Name
2-(4,6-Dichloro-2-methyl-1h-indol-3-yl)ethanamine hydrochloride
InChi Key
ZHOLRBWPQNSIHI-UHFFFAOYSA-N
InChi Code
InChI=1S/C11H12Cl2N2.ClH/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6;/h4-5,15H,2-3,14H2,1H3;1H
SMILES Code
CC(N1)=C(CCN)C2=C1C=C(Cl)C=C2Cl.[H]Cl
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
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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:
DCAI hydrochloride is an inhibitor of nucleotide exchange and nucleotide release.
In vitro activity:
The mechanism of the DCAI-mediated inhibition of nucleotide release was investigated. It was found that DCAI, but not BZIM, compromised the formation of the Ras–SOS complex independent of the presence of EDTA (Fig. 4C and Fig. S7 B and C). It is concluded that DCAI inhibits the nucleotide release reaction by blocking the association of KRas with SOS. Next, the SOS concentration was titrated in the presence of fixed DCAI concentrations (either 125 or 250 μM) and greater inhibition was observed by DCAI at lower SOS concentrations (Fig. 4D), indicating that DCAI blocks the formation of the KRasGDP-SOScat complex. Thus, DCAI acts as a competitive inhibitor of nucleotide release via its association with RasGDP. This mechanism of action for DCAI also predicts that the IC50 of DCAI in the nucleotide release assay should be highly dependent on the concentration of SOScat with lower SOScat concentrations resulting in lower IC50 values. Reference: Proc Natl Acad Sci U S A. 2012 Apr 3; 109(14): 5299-5304. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3325706/
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 279.59 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. Winter JJ, Anderson M, Blades K, Brassington C, Breeze AL, Chresta C, Embrey K, Fairley G, Faulder P, Finlay MR, Kettle JG, Nowak T, Overman R, Patel SJ, Perkins P, Spadola L, Tart J, Tucker JA, Wrigley G. Small molecule binding sites on the Ras:SOS complex can be exploited for inhibition of Ras activation. J Med Chem. 2015 Mar 12;58(5):2265-74. doi: 10.1021/jm501660t. Epub 2015 Feb 26. PMID: 25695162. 2. Maurer T, Garrenton LS, Oh A, Pitts K, Anderson DJ, Skelton NJ, Fauber BP, Pan B, Malek S, Stokoe D, Ludlam MJ, Bowman KK, Wu J, Giannetti AM, Starovasnik MA, Mellman I, Jackson PK, Rudolph J, Wang W, Fang G. Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc Natl Acad Sci U S A. 2012 Apr 3;109(14):5299304. doi: 10.1073/pnas.1116510109. Epub 2012 Mar 19. PMID: 22431598; PMCID: PMC3325706.
In vitro protocol:
1. Winter JJ, Anderson M, Blades K, Brassington C, Breeze AL, Chresta C, Embrey K, Fairley G, Faulder P, Finlay MR, Kettle JG, Nowak T, Overman R, Patel SJ, Perkins P, Spadola L, Tart J, Tucker JA, Wrigley G. Small molecule binding sites on the Ras:SOS complex can be exploited for inhibition of Ras activation. J Med Chem. 2015 Mar 12;58(5):2265-74. doi: 10.1021/jm501660t. Epub 2015 Feb 26. PMID: 25695162. 2. Maurer T, Garrenton LS, Oh A, Pitts K, Anderson DJ, Skelton NJ, Fauber BP, Pan B, Malek S, Stokoe D, Ludlam MJ, Bowman KK, Wu J, Giannetti AM, Starovasnik MA, Mellman I, Jackson PK, Rudolph J, Wang W, Fang G. Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide exchange activity. Proc Natl Acad Sci U S A. 2012 Apr 3;109(14):5299304. doi: 10.1073/pnas.1116510109. Epub 2012 Mar 19. PMID: 22431598; PMCID: PMC3325706.
In vivo protocol:
1: Luo H, Xu J, Yu X. Isolation and bioactivity of an angiogenesis inhibitor extracted from the cartilage of Dasyatis akajei. Asia Pac J Clin Nutr. 2007;16 Suppl 1:286-9. PubMed PMID: 17392120.