WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H208485
CAS#: 2676177-63-0
Description: LUNA18 is an 11-mer cyclic peptide KRAS inhibitor for the intracellular tough target RAS.
Hodoodo Cat#: H208485
Name: LUNA18
CAS#: 2676177-63-0
Chemical Formula: C73H105F5N12O12
Exact Mass: 1,436.79
Molecular Weight: 1,437.710
Elemental Analysis: C, 60.99; H, 7.36; F, 6.61; N, 11.69; O, 13.35
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Synonym: luna18; luna-18; luna 18; paluratidum; paluratide
IUPAC/Chemical Name: 2-((5S,8S,11S,14S,17S,22aS,28S,34S,36aS)-8-((S)-sec-Butyl)-17-cyclopentyl-28-(3,5-difluoro-4-(trifluoromethyl)phenethyl)-35-ethyl-11-isobutyl-5,6,12,15,18,32-hexamethyl-34-(4-methylbenzyl)-4,7,10,13,16,19,22,27,30,33,36-undecaoxotetratriacontahydro-2H-spiro[azeto[1,2-a]pyrrolo[1,2-m][1,4,7,10,13,16,19,22,25,28,31]undecaazacyclotritriacontine-20,1'-cyclopentan]-14-yl)-N,N-dimethylacetamide
InChi Key: CBRJDSIKAVHFFO-DEBTURSASA-N
InChi Code: InChI=1S/C73H105F5N12O12/c1-15-44(6)60-69(100)84(11)45(7)64(95)90-35-31-53(90)68(99)88(16-2)56(39-46-27-25-43(5)26-28-46)66(97)83(10)41-57(91)79-51(30-29-47-37-49(74)59(50(75)38-47)73(76,77)78)65(96)89-34-21-24-52(89)63(94)81-72(32-19-20-33-72)71(102)87(14)61(48-22-17-18-23-48)70(101)86(13)55(40-58(92)82(8)9)67(98)85(12)54(36-42(3)4)62(93)80-60/h25-28,37-38,42,44-45,48,51-56,60-61H,15-24,29-36,39-41H2,1-14H3,(H,79,91)(H,80,93)(H,81,94)/t44-,45-,51-,52-,53-,54-,55-,56-,60-,61-/m0/s1
SMILES Code: O=C(N(C)C)C[C@@H](C(N(C)[C@@H](CC(C)C)C(N[C@@H]([C@@H](C)CC)C(N(C)[C@H]1C)=O)=O)=O)N(C)C([C@H](C2CCCC2)N(C)C(C3(CCCC3)NC([C@@](CCC4)([H])N4C([C@H](CCC5=CC(F)=C(C(F)(F)F)C(F)=C5)NC(CN(C)C([C@H](CC6=CC=C(C)C=C6)N(CC)C([C@@](CC7)([H])N7C1=O)=O)=O)=O)=O)=O)=O)=O
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:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 1,437.71 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: | |
In vitro protocol: | |
In vivo protocol: |
1: Ohta A, Tanada M, Shinohara S, Morita Y, Nakano K, Yamagishi Y, Takano R, Kariyuki S, Iida T, Matsuo A, Ozeki K, Emura T, Sakurai Y, Takano K, Higashida A, Kojima M, Muraoka T, Takeyama R, Kato T, Kimura K, Ogawa K, Ohara K, Tanaka S, Kikuchi Y, Hisada N, Hayashi R, Nishimura Y, Nomura K, Tachibana T, Irie M, Kawada H, Torizawa T, Murao N, Kotake T, Tanaka M, Ishikawa S, Miyake T, Tamiya M, Arai M, Chiyoda A, Akai S, Sase H, Kuramoto S, Ito T, Shiraishi T, Kojima T, Iikura H. Validation of a New Methodology to Create Oral Drugs beyond the Rule of 5 for Intracellular Tough Targets. J Am Chem Soc. 2023 Nov 8;145(44):24035-24051. doi: 10.1021/jacs.3c07145. Epub 2023 Oct 24. PMID: 37874670.
2: Tanada M, Tamiya M, Matsuo A, Chiyoda A, Takano K, Ito T, Irie M, Kotake T, Takeyama R, Kawada H, Hayashi R, Ishikawa S, Nomura K, Furuichi N, Morita Y, Kage M, Hashimoto S, Nii K, Sase H, Ohara K, Ohta A, Kuramoto S, Nishimura Y, Iikura H, Shiraishi T. Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor. J Am Chem Soc. 2023 Aug 2;145(30):16610-16620. doi: 10.1021/jacs.3c03886. Epub 2023 Jul 18. PMID: 37463267.
3: Nomura K, Hashimoto S, Takeyama R, Tamiya M, Kato T, Muraoka T, Kage M, Nii K, Kotake K, Iida S, Emura T, Tanada M, Iikura H. Broadly Applicable and Comprehensive Synthetic Method for N-Alkyl-Rich Drug-like Cyclic Peptides. J Med Chem. 2022 Oct 13;65(19):13401-13412. doi: 10.1021/acs.jmedchem.2c01296. Epub 2022 Sep 15. PMID: 36109865.