NSC-109116
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 564830

CAS#: 4906-68-7

Description: NSC-109116 is a potent and selective human 20α-hydroxysteroid dehydrogenase (AKR1C1) inhibitor.


Chemical Structure

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NSC-109116
CAS# 4906-68-7

Theoretical Analysis

MedKoo Cat#: 564830
Name: NSC-109116
CAS#: 4906-68-7
Chemical Formula: C13H9BrO3
Exact Mass: 291.97
Molecular Weight: 293.116
Elemental Analysis: C, 53.27; H, 3.10; Br, 27.26; O, 16.37

Price and Availability

Size Price Availability Quantity
1mg USD 230
5mg USD 520
10mg USD 860
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Synonym: NSC109116; NSC 109116; NSC-109116

IUPAC/Chemical Name: 3-Bromo-5-phenylsalicylic acid

InChi Key: XVZSXNULHSIRCQ-UHFFFAOYSA-N

InChi Code: InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17)

SMILES Code: OC1=C(Br)C=C(C2=CC=CC=C2)C=C1C(O)=O

Appearance: Solid powder

Purity: >95% (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 (12 mg/mL)

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:
Safety Data Sheet (SDS):
Biological target: AKR1C1-IN-1 is a potent and selective inhibitor of human 20α-hydroxysteroid dehydrogenase (AKR1C1), with a Ki value of 4 nM for AKR1C1.
In vitro activity: TBD
In vivo activity: TBD

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMF 15.0 51.17
DMF:PBS (pH 7.2) (1:9) 0.1 0.34
DMSO 57.2 195.03
Ethanol 29.6 100.81

Preparing Stock Solutions

The following data is based on the product molecular weight 293.12 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: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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