Vismodegib
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MedKoo CAT#: 203500

CAS#: 879085-55-9

Description: Vismodegib, also known as GDC-0449 or RG3616, is a hedgehog antagonist, is also a n orally bioavailable small molecule with potential antineoplastic activity. Hedgehog antagonist GDC-0449 targets the Hedgehog signaling pathway, blocking the activities of the Hedgehog-ligand cell surface receptors PTCH and/or SMO and suppressing Hedgehog signaling.


Chemical Structure

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Vismodegib
CAS# 879085-55-9

Theoretical Analysis

MedKoo Cat#: 203500
Name: Vismodegib
CAS#: 879085-55-9
Chemical Formula: C19H14Cl2N2O3S
Exact Mass: 420.01022
Molecular Weight: 421.3
Elemental Analysis: C, 54.17; H, 3.35; Cl, 16.83; N, 6.65; O, 11.39; S, 7.61

Size Price Shipping out time Quantity
500mg USD 150 Same day
1g USD 250 Same day
2g USD 450 Same day
5g USD 950 Same day
10g USD 1750 Same day
20g USD 3250 Same day
50g USD 7450 2 weeks
Inquire bulk and customized quantity

Pricing updated 2021-02-26. Prices are subject to change without notice.

Vismodegib, purity > 98%, is in stock. The same day shipping after order is received.

Synonym: GDC0449, GDC 0449, GDC-0449, RG3616, RG 3616, RG-3616, Vismodegib, Erivedge

IUPAC/Chemical Name: 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide

InChi Key: BPQMGSKTAYIVFO-UHFFFAOYSA-N

InChi Code: InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)

SMILES Code: O=C(NC1=CC=C(Cl)C(C2=NC=CC=C2)=C1)C3=CC=C(S(=O)(C)=O)C=C3Cl

Appearance:
White 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, not in water

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

Preparing Stock Solutions

The following data is based on the product molecular weight 421.3 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.

Select a batch to recalculate based on the batch molecular weight:
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

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1: Poggi L, Kolesar JM. Vismodegib for the treatment of basal cell skin cancer. Am J Health Syst Pharm. 2013 Jun 15;70(12):1033-8. doi: 10.2146/ajhp120311. Review. PubMed PMID: 23719880.

2: Dubey AK, Dubey S, Handu SS, Qazi MA. Vismodegib: the first drug approved for advanced and metastatic basal cell carcinoma. J Postgrad Med. 2013 Jan-Mar;59(1):48-50. Review. PubMed PMID: 23525058.

3: Cirrone F, Harris CS. Vismodegib and the hedgehog pathway: a new treatment for basal cell carcinoma. Clin Ther. 2012 Oct;34(10):2039-50. doi: 10.1016/j.clinthera.2012.08.011. Epub 2012 Oct 1. Review. PubMed PMID: 23036338.

4: Amaria RN, Bowles DW, Lewis KD, Jimeno A. Vismodegib in basal cell carcinoma. Drugs Today (Barc). 2012 Jul;48(7):459-67. doi: 10.1358/dot.2012.48.7.1808490. Review. PubMed PMID: 22844657.

5: Keating GM. Vismodegib: in locally advanced or metastatic basal cell carcinoma. Drugs. 2012 Jul 30;72(11):1535-41. doi: 10.2165/11209590-000000000-00000. Review. PubMed PMID: 22788238.

6: De Smaele E, Ferretti E, Gulino A. Vismodegib, a small-molecule inhibitor of the hedgehog pathway for the treatment of advanced cancers. Curr Opin Investig Drugs. 2010 Jun;11(6):707-18. Review. PubMed PMID: 20496266.



Additional Information

The Hedgehog signaling pathway plays an important role in tissue growth and repair; aberrant constitutive activation of Hedgehog pathway signaling and uncontrolled cellular proliferation may be associated with mutations in the Hedgehog-ligand cell surface receptors PTCH and SMO.