MedKoo Cat#: 564830 | Name: NSC-109116
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Description:

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

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

Chemical Structure

NSC-109116
NSC-109116
CAS#4906-68-7

Theoretical Analysis

MedKoo Cat#: 564830

Name: NSC-109116

CAS#: 4906-68-7

Chemical Formula: C13H9BrO3

Exact Mass: 291.9735

Molecular Weight: 293.12

Elemental Analysis: C, 53.27; H, 3.10; Br, 27.26; O, 16.37

Price and Availability

Size Price Availability Quantity
1mg USD 230.00
5mg USD 520.00
10mg USD 860.00
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Related CAS #
No Data
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
Certificate of Analysis
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
Solvent mg/mL 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
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 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