MedKoo Cat#: 121084 | Name: Nelutroctiv
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Description:

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

Nelutroctiv, also known as CK-136, is a Selective Cardiac Troponin Activator for the Treatment of Cardiovascular Diseases Associated with Reduced Cardiac Contractility. Nelutroctiv improves cardiac contractility by selectively activating cardiac troponin and could improve health outcomes for patients with cardiovascular conditions where contractility is reduced such as HFrEF or the systemic right ventricle (SRV) subset of congenital heart disease (CHD).

Chemical Structure

Nelutroctiv
Nelutroctiv
CAS#2299177-09-4

Theoretical Analysis

MedKoo Cat#: 121084

Name: Nelutroctiv

CAS#: 2299177-09-4

Chemical Formula: C24H22F5N3O4S

Exact Mass: 543.1251

Molecular Weight: 543.51

Elemental Analysis: C, 53.04; H, 4.08; F, 17.48; N, 7.73; O, 11.77; S, 5.90

Price and Availability

Size Price Availability Quantity
1mg USD 550.00 2 Weeks
5mg USD 1,250.00 2 Weeks
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Related CAS #
No Data
Synonym
Nelutroctiv; CK-136; CK 136; CK136;
IUPAC/Chemical Name
(1R,3R,5R)-N-{(R)-ciclopropil[2,5-difluoro-4- (trifluorometil)fenil]metil}-2-[5-(metanosulfonil)piridina- 3-carbonil]-2-azabiciclo[3.1.0]hexano-3-carboxamida
InChi Key
BDIJXTIDFAIBQF-OOCUOIDPSA-N
InChi Code
InChI=1S/C24H22F5N3O4S/c1-37(35,36)14-4-13(9-30-10-14)23(34)32-19-5-12(19)6-20(32)22(33)31-21(11-2-3-11)15-7-18(26)16(8-17(15)25)24(27,28)29/h4,7-12,19-21H,2-3,5-6H2,1H3,(H,31,33)/t12-,19-,20-,21-/m1/s1
SMILES Code
FC1=CC([C@@H](C2CC2)NC([C@@H]3N(C(C4=CC(S(C)(=O)=O)=CN=C4)=O)[C@H](C5)[C@H]5C3)=O)=C(F)C=C1C(F)(F)F
Appearance
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 543.51 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
Romero A, Ashcraft L, Chandra A, DiMassa V, Cremin P, Collibee SE, Chuang C, Hartman J, Hwee DT, St Jean D, Malinowski J, DeBenedetto M, Moebius D, Payette J, Vargas R, Yeoman J, Motani A, Reagan J, Malik FI, Morgan BP. Discovery of Nelutroctiv (CK-136), a Selective Cardiac Troponin Activator for the Treatment of Cardiovascular Diseases Associated with Reduced Cardiac Contractility. J Med Chem. 2024 May 10. doi: 10.1021/acs.jmedchem.3c02413. Epub ahead of print. PMID: 38729623.