ND-2158

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

MedKoo CAT#: 532315

CAS#: 1388896-07-8

Description: ND-2158 is a potent and selective experimental inhibitor of IRAK4 described in patent WO2013106535.


Chemical Structure

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ND-2158
CAS# 1388896-07-8

Theoretical Analysis

MedKoo Cat#: 532315
Name: ND-2158
CAS#: 1388896-07-8
Chemical Formula: C22H30N4O4S
Exact Mass: 446.20
Molecular Weight: 446.570
Elemental Analysis: C, 59.17; H, 6.77; N, 12.55; O, 14.33; S, 7.18

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.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: ND-2158; ND 2158; ND2158.

IUPAC/Chemical Name: (S)-2-hydroxy-3-((R)-4-(((1r,4R)-4-morpholinocyclohexyl)oxy)-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-5-yl)propanamide

InChi Key: ZSMULWAVKYFPSS-FPCVCCKLSA-N

InChi Code: InChI=1S/C22H30N4O4S/c23-20(28)16(27)11-13-1-6-17-18(13)19-21(24-12-25-22(19)31-17)30-15-4-2-14(3-5-15)26-7-9-29-10-8-26/h12-16,27H,1-11H2,(H2,23,28)/t13-,14-,15-,16+/m1/s1

SMILES Code: NC(=O)[C@H](C[C@H]1CCc2c1c1c(ncnc1s2)O[C@@H]1CC[C@H](CC1)N1CCOCC1)O

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

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 446.57 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: Kelly PN, Romero DL, Yang Y, Shaffer AL 3rd, Chaudhary D, Robinson S, Miao W, Rui L, Westlin WF, Kapeller R, Staudt LM. Selective interleukin-1 receptor-associated kinase 4 inhibitors for the treatment of autoimmune disorders and lymphoid malignancy. J Exp Med. 2015 Dec 14;212(13):2189-201. doi: 10.1084/jem.20151074. Epub 2015 Nov 30. PubMed PMID: 26621451; PubMed Central PMCID: PMC4689168.