Atrovastatin-PEG3-FITC
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MedKoo CAT#: 556344

CAS#: 1440755-31-6

Description: Atrovastatin-PEG3-FITC is a KRAS-PDEδ interaction inhibitor, which can be used as a ligand in fluorescence anisotropy assay.

Chemical Structure

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Atrovastatin-PEG3-FITC
CAS# 1440755-31-6
Instruction

Theoretical Analysis

MedKoo Cat#: 556344
Name: Atrovastatin-PEG3-FITC
CAS#: 1440755-31-6
Chemical Formula: C64H68FN5O12S
Exact Mass: 1,149.46
Molecular Weight: 1,150.329
Elemental Analysis: C, 66.82; H, 5.96; F, 1.65; N, 6.09; O, 16.69; S, 2.79

Price and Availability

Size Price Availability Quantity
25mg USD 750 2 Weeks
50mg USD 1250 2 Weeks
100mg USD 1950 2 Weeks
200mg USD 2950 2 Weeks
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Related CAS #: 1440755-31-6    

Synonym: Atrovastatin-PEG3-FITC;

IUPAC/Chemical Name: 1-((19R,21R)-1-((3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)amino)-19,21-dihydroxy-17-oxo-1-thioxo-6,9,12-trioxa-2,16-diazatricosan-23-yl)-5-(4-fluorophenyl)-2-isopropyl-N,4-diphenyl-1H-pyrrole-3-carboxamide

InChi Key: WHWNHUTWCMCCLV-YYACYCFASA-N

InChi Code: InChI=1S/C64H68FN5O12S/c1-40(2)59-58(61(76)68-44-13-7-4-8-14-44)57(41-11-5-3-6-12-41)60(42-15-17-43(65)18-16-42)70(59)28-25-48(73)36-49(74)39-56(75)66-26-9-29-78-31-33-80-34-32-79-30-10-27-67-63(83)69-45-19-22-51-50(35-45)62(77)82-64(51)52-23-20-46(71)37-54(52)81-55-38-47(72)21-24-53(55)64/h3-8,11-24,35,37-38,40,48-49,71-74H,9-10,25-34,36,39H2,1-2H3,(H,66,75)(H,68,76)(H2,67,69,83)/t48-,49-/m1/s1

SMILES Code: O=C1OC2(C3=CC=C(O)C=C3OC4=CC(O)=CC=C42)C5=CC=C(NC(NCCCOCCOCCOCCCNC(C[C@H](O)C[C@H](O)CCN6C(C7=CC=C(C=C7)F)=C(C8=CC=CC=C8)C(C(NC9=CC=CC=C9)=O)=C6C(C)C)=O)=S)C=C51

Appearance: To be determined

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: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 1,150.33 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:
In vitro protocol:
In vivo protocol:

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1]. Gunther Zimmermann, et al. Small molecule inhibition of the KRAS-PDEδ interaction impairs oncogenic KRAS signaling. Nature. 2013 May 30;497(7451):638-42.

[2]. Yan Jiang, et al. Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors. J Med Chem. 2017 Nov 22;60(22):9400-9406.