Amcasertib | CAS#1129403-56-0 | CSCPK inhibitor

MedKoo Cat#: 206429 | Name: Amcasertib

Description:

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

Amcasertib, also known as BBI-503, is a potent and selective CSCPK inhibitor with potential anticancer activity.

Chemical Structure

Amcasertib

CAS#1129403-56-0

Theoretical Analysis

MedKoo Cat#: 206429

Name: Amcasertib

CAS#: 1129403-56-0

Chemical Formula: C31H33N5O2S

Exact Mass: 539.2355

Molecular Weight: 539.70

Elemental Analysis: C, 68.99; H, 6.16; N, 12.98; O, 5.93; S, 5.94

Price and Availability

Size	Price	Availability
5mg	USD 90.00	Ready to ship
10mg	USD 150.00	Ready to ship
25mg	USD 250.00	Ready to ship
50mg	USD 450.00	Ready to ship
100mg	USD 750.00	Ready to ship
200mg	USD 1,350.00	Ready to ship

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Related CAS #

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Synonym

Amcasertib; BBI503; BBI-503; BB I503.

IUPAC/Chemical Name

(E)-N-(2-(diethylamino)ethyl)-2,4-dimethyl-5-((2-oxo-5-(2-phenylthiazol-4-yl)indolin-3-ylidene)methyl)-1H-pyrrole-3-carboxamide

InChi Key

QDWKGEFGLQMDAM-JJIBRWJFSA-N

InChi Code

InChI=1S/C31H33N5O2S/c1-5-36(6-2)15-14-32-30(38)28-19(3)26(33-20(28)4)17-24-23-16-22(12-13-25(23)34-29(24)37)27-18-39-31(35-27)21-10-8-7-9-11-21/h7-13,16-18,33H,5-6,14-15H2,1-4H3,(H,32,38)(H,34,37)/b24-17+

SMILES Code

O=C(C1=C(C)NC(/C=C2C(NC3=C/2C=C(C4=CSC(C5=CC=CC=C5)=N4)C=C3)=O)=C1C)NCCN(CC)CC

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, 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

More Info

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot# C22R02B01

QC Data

View QC data: current batch, Lot# C22R02B01

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

Amcasertib is an inhibitor of cancer stem cells (CSCs). It inhibits the growth of HT-29 and MDA-MB-231 cancer cells (IC50s = 100-250 nM for both).

In vitro activity:

BBI503 (Amcasertib), which is a small-molecule multi-kinase inhibitor20, inhibited the NANOG and CD133 expression (Fig. 4a), and cell viability (Fig. 4b) in PC-9/GR cells. Reference: Cell Death Dis. 2020 Aug 20;11(8):670. https://pubmed.ncbi.nlm.nih.gov/32820157/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	14.0	25.94
	Ethanol	1.0	1.85
	DMF	5.0	9.26
	DMF:PBS (pH 7.2) (1:2)	0.3	0.61

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 539.70 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.

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. Jia Z, Zhang Y, Yan A, Wang M, Han Q, Wang K, Wang J, Qiao C, Pan Z, Chen C, Hu D, Ding X. 1,25-dihydroxyvitamin D3 signaling-induced decreases in IRX4 inhibits NANOG-mediated cancer stem-like properties and gefitinib resistance in NSCLC cells. Cell Death Dis. 2020 Aug 20;11(8):670. doi: 10.1038/s41419-020-02908-w. PMID: 32820157; PMCID: PMC7441324.

In vitro protocol:

In vivo protocol:

TBD