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MedKoo Cat#: 562902 | Name: DCAI
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Description:

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

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

Chemical Structure

DCAI
DCAI
CAS#299165-92-7 (free base)

Theoretical Analysis

MedKoo Cat#: 562902

Name: DCAI

CAS#: 299165-92-7 (free base)

Chemical Formula: C11H12Cl2N2

Exact Mass: 242.0378

Molecular Weight: 243.13

Elemental Analysis: C, 54.34; H, 4.98; Cl, 29.16; N, 11.52

Price and Availability

Size Price Availability Quantity
100mg USD 350.00 2 Weeks
250mg USD 650.00 2 Weeks
1g USD 1,250.00 2 Weeks
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Related CAS #
299165-92-7 (free base) 1049742-84-8 (HCl)
Synonym
DCAI;
IUPAC/Chemical Name
2-(4,6-Dichloro-2-methyl-1H-indol-3-yl)ethanamine
InChi Key
JCTJISIFGZHOFY-UHFFFAOYSA-N
InChi Code
InChI=1S/C11H12Cl2N2/c1-6-8(2-3-14)11-9(13)4-7(12)5-10(11)15-6/h4-5,15H,2-3,14H2,1H3
SMILES Code
CC(N1)=C(CCN)C2=C1C=C(Cl)C=C2Cl
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
>2 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 is a known binder to Ras, which inhibits SOS nucleotide exchange, inhibiting Ras activation.
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:
Solvent mg/mL mM
Solubility
DMSO 20.0 82.26
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 243.13 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:
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PubMed PMID: 28739052. 4: Shen E, Zou J, Hubertus Behrens F, Chen L, Ye C, Dai S, Li R, Ni M, Jiang X, Qiu J, Liu Y, Wang W, Zhu QH, Chalhoub B, Bancroft I, Meng J, Cai D, Fan L. Identification, evolution, and expression partitioning of miRNAs in allopolyploid Brassica napus. J Exp Bot. 2015 Dec;66(22):7241-53. doi: 10.1093/jxb/erv420. Epub 2015 Sep 10. PubMed PMID: 26357884; PubMed Central PMCID: PMC4765792. 5: Xu H, Wang H, Wu C, Lin N, Soomro AM, Guo H, Liu C, Yang X, Wu Y, Cai D, Kang J. Direct synthesis of graphene 3D-coated Cu nanosilks network for antioxidant transparent conducting electrode. Nanoscale. 2015 Jun 28;7(24):10613-21. doi: 10.1039/c5nr01711d. Epub 2015 May 28. PubMed PMID: 26018299. 6: Cai D, Lin N, Xu H, Liao CH, Yang CC. Extraordinary N atom tunneling in formation of InN shell layer on GaN nanorod m-plane sidewall. Nanotechnology. 2014 Dec 12;25(49):495705. doi: 10.1088/0957-4484/25/49/495705. Epub 2014 Nov 21. PubMed PMID: 25412649. 7: Yang Z, Deng L, Lan Y, Zhang X, Gao Z, Chu CW, Cai D, Ren Z. Molecular extraction in single live cells by sneaking in and out magnetic nanomaterials. Proc Natl Acad Sci U S A. 2014 Jul 29;111(30):10966-71. doi: 10.1073/pnas.1411802111. Epub 2014 Jul 16. PubMed PMID: 25030447; PubMed Central PMCID: PMC4121814. 8: Zhou J, Huang Q, Li J, Cai D, Kang J. The InN epitaxy via controlling In bilayer. Nanoscale Res Lett. 2014 Jan 6;9(1):5. doi: 10.1186/1556-276X-9-5. PubMed PMID: 24393422; PubMed Central PMCID: PMC3895708. 9: Miklós Z, Kemecsei P, Bíró T, Marincsák R, Tóth BI, Op den Buijs J, Benis É, Drozgyik A, Ivanics T. Early cardiac dysfunction is rescued by upregulation of SERCA2a pump activity in a rat model of metabolic syndrome. Acta Physiol (Oxf). 2012 Jul;205(3):381-93. doi: 10.1111/j.1748-1716.2012.02420.x. Epub 2012 Mar 9. PubMed PMID: 22289164. 10: Cai D, Marques MA, Nogueira F. Accurate color tuning of firefly chromophore by modulation of local polarization electrostatic fields. J Phys Chem B. 2011 Jan 20;115(2):329-32. doi: 10.1021/jp105213v. Epub 2010 Dec 17. PubMed PMID: 21166405. 11: Cai DJ, Rickard TC. Reconsidering the role of sleep for motor memory. Behav Neurosci. 2009 Dec;123(6):1153-7. doi: 10.1037/a0017672. PubMed PMID: 20001099. 12: Han C, Liu C, Pogwizd S, He B. Noninvasive three-dimensional cardiac activation imaging on a rabbit model. Conf Proc IEEE Eng Med Biol Soc. 2009;2009:3271-3. doi: 10.1109/IEMBS.2009.5333511. PubMed PMID: 19964067. 13: Cai D, Xu F, Li J, Chen H, Kang J. Non-contact electrical detection of intrinsic local charge and internal electric field at nanointerfaces. Nanotechnology. 2010 Jan 8;21(1):015707. doi: 10.1088/0957-4484/21/1/015707. Epub 2009 Nov 30. PubMed PMID: 19946168. 14: Cai DJ, Shuman T, Harrison EM, Sage JR, Anagnostaras SG. Sleep deprivation and Pavlovian fear conditioning. Learn Mem. 2009 Sep 30;16(10):595-9. doi: 10.1101/lm.1515609. Print 2009 Oct. PubMed PMID: 19794184. 15: Cai D. NFkappaB-mediated metabolic inflammation in peripheral tissues versus central nervous system. Cell Cycle. 2009 Aug 15;8(16):2542-8. Epub 2009 Aug 29. Review. PubMed PMID: 19633416. 16: Han C, Liu Z, Zhang X, Pogwizd S, He B. Noninvasive three-dimensional cardiac activation imaging from body surface potential maps: a computational and experimental study on a rabbit model. IEEE Trans Med Imaging. 2008 Nov;27(11):1622-30. doi: 10.1109/TMI.2008.929094. PubMed PMID: 18955177; PubMed Central PMCID: PMC2701977. 17: 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. 18: Kim JH, Kim IO, Kim WS, Kim KH, Park CM, Yeon KM. MR findings of desmoplastic cerebral astrocytoma of infancy. Acta Radiol. 2003 Nov;44(6):688-90. 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