Kalihinene

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

MedKoo CAT#: 462102

CAS#: 126622-61-5

Description: Kalihinene is a marine isonitrile.


Chemical Structure

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Kalihinene
CAS# 126622-61-5

Theoretical Analysis

MedKoo Cat#: 462102
Name: Kalihinene
CAS#: 126622-61-5
Chemical Formula: C22H32N2O
Exact Mass: 340.2515
Molecular Weight: 340.511
Elemental Analysis: C, 77.60; H, 9.47; N, 8.23; O, 4.70

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: Kalihinene

IUPAC/Chemical Name: (2S,5R)-2-[(1R,4R,4aS,8aR)-4-isocyano-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]-5-(2-isocyanopropan-2-yl)-2-methyloxolane

InChi Key: WSPJFMZOFNQTAT-NBIPDHRESA-N

InChi Code: InChI=1S/C22H32N2O/c1-15-8-9-17-16(14-15)18(10-12-21(17,4)24-7)22(5)13-11-19(25-22)20(2,3)23-6/h14,16-19H,8-13H2,1-5H3/t16-,17+,18-,19-,21-,22+/m1/s1

SMILES Code: CC1=C[C@H]2[C@@H](CC[C@@](C)([N+]#[C-])[C@H]2CC1)[C@]3(C)CC[C@@H](O3)C(C)(C)[N+]#[C-]

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: >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

Preparing Stock Solutions

The following data is based on the product molecular weight 340.511 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

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1: Marine Isonitriles and Their Related Compounds Jens Emsermann, Ulrich Kauhl, Till Opatz Mar Drugs. 2016 Jan; 14(1): 16. Published online 2016 Jan 14. doi: 10.3390/md14010016 PMCID: PMC4728513

2: Syntheses and Biological Studies of Marine Terpenoids Derived from Inorganic Cyanide Martin J. Schnermann, Ryan A. Shenvi
Nat Prod Rep. Author manuscript; available in PMC 2016 Apr 1.Published in final edited form as: Nat Prod Rep. 2015 Apr; 32(4): 543–577. doi: 10.1039/c4np00109e PMCID: PMC4414506

3: Formamido-Diterpenes from the South China Sea Sponge Acanthella cavernosa Ying Xu, Jun-Hui Lang, Wei-Hua Jiao, Ru-Ping Wang, Ying Peng, Shao-Jiang Song, Bao-Hua Zhang, Hou-Wen Lin Mar Drugs. 2012 Jul; 10(7): 1445–1458. Published online 2012 Jul 2. doi: 10.3390/md10071445 PMCID: PMC3407923

4: Biological Activity of Recently Discovered Halogenated Marine Natural Products Gordon W. Gribble Mar Drugs. 2015 Jul; 13(7): 4044–4136. Published online 2015 Jun 30. doi: 10.3390/md13074044 PMCID: PMC4515607

5: Synthesis and Potent Antimalarial Activity of Kalihinol B Mary Elisabeth Daub, Jacques Prudhomme, Karine Le Roch, Christopher D. Vanderwal J Am Chem Soc. 2015 Apr 22; 137(15): 4912–4915. Published online 2015 Mar 27. doi: 10.1021/jacs.5b01152 PMCID: PMC4415034

6: Terpenoids in Marine Heterobranch Molluscs Conxita Avila Mar Drugs. 2020 Mar; 18(3): 162. Published online 2020 Mar 14. doi: 10.3390/md18030162 PMCID: PMC7143877

7: Cytotoxic Nitrogenous Terpenoids from Two South China Sea Nudibranchs Phyllidiella pustulosa, Phyllidia coelestis, and Their Sponge-Prey Acanthella cavernosa Qihao Wu, Wen-Ting Chen, Song-Wei Li, Jian-Yu Ye, Xia-Juan Huan, Margherita Gavagnin, Li Gong Yao, Hong Wang, Ze-Hong Miao, Xu-Wen Li, Yue-Wei Guo Mar Drugs. 2019 Jan; 17(1): 56. Published online 2019 Jan 16. doi: 10.3390/md17010056 PMCID: PMC6356796

8: Juxtaposition of chemical and mutation- induced developmental defects in zebrafish reveal a novel copper-chelating activity for kalihinol F Imelda T. Sandoval, Elizabeth J. Manos, Ryan M. Van Wagoner, Richard Glenn C. Delacruz, Kornelia Edes, Dennis R. Winge, Chris M. Ireland, David A. Jones Chem Biol. Author manuscript; available in PMC 2014 Jun 20.Published in final edited form as: Chem Biol. 2013 Jun 20; 20(6): 753–763. doi: 10.1016/j.chembiol.2013.05.008 PMCID: PMC3715381

9: Marine Sponges as Pharmacy Detmer Sipkema, Maurice C. R. Franssen, Ronald Osinga, Johannes Tramper, René H. Wijffels Mar Biotechnol (NY) 2005; 7(3): 142. Published online 2005 Mar 24. doi: 10.1007/s10126-004-0405-5 PMCID: PMC7087563