Nintedanib esylate hemihydrate

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MedKoo CAT#: 578186

CAS#: 959762-24-4 (esylate hemihydrate)

Description: Nintedanib esylate hemihydrate is a potent inhibitor of multiple receptor tyrosine kinases (RTKs) and non-receptor tyrosine kinases (nRTKs).

Chemical Structure

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Nintedanib esylate hemihydrate
CAS# 959762-24-4 (esylate hemihydrate)
Instruction

Theoretical Analysis

MedKoo Cat#: 578186
Name: Nintedanib esylate hemihydrate
CAS#: 959762-24-4 (esylate hemihydrate)
Chemical Formula: C66H80N10O15S2
Exact Mass: 1,316.52
Molecular Weight: 1,317.540
Elemental Analysis: C, 60.17; H, 6.12; N, 10.63; O, 18.21; S, 4.87

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
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Related CAS #: 656247-18-6 (esylate)   656247-17-5 (free base)   928326-83-4 (free base)   959762-24-4 (esylate hemihydrate)  

Synonym: Nintedanib esylate hemihydrate

IUPAC/Chemical Name: bis(methyl (Z)-3-(((4-(N-methyl-2-(4-methylpiperazin-1-yl)acetamido)phenyl)amino)(phenyl)methylene)-2-oxoindoline-6-carboxylate) diethanesulfonate hydrate

InChi Key: FXFVOZKAPICGNY-NKYWIEMRSA-N

InChi Code: 1S/2C31H33N5O4.2C2H6O3S.H2O/c2*1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38;2*1-2-6(3,4)5;/h2*4-14,19,32H,15-18,20H2,1-3H3,(H,33,38);2*2H2,1H3,(H,3,4,5);1H2/b2*29-28-;;;

SMILES Code: O.CCS(=O)(=O)O.CCS(=O)(=O)O.COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN4CCN(C)CC4)/c5ccccc5)\C(=O)Nc2c1.COC(=O)c6ccc7\C(=C(\Nc8ccc(cc8)N(C)C(=O)CN9CCN(C)CC9)/c%10ccccc%10)\C(=O)Nc7c6

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: 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 1,317.54 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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