WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H130149
CAS#: N/A
Description: HTL0029881 is a CGRP antagonist.
Hodoodo Cat#: H130149
Name: HTL0029881
CAS#: N/A
Chemical Formula: C35H36N6O5
Exact Mass: 620.27
Molecular Weight: 620.710
Elemental Analysis: C, 67.73; H, 5.85; N, 13.54; O, 12.89
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Synonym: HTL0029881
IUPAC/Chemical Name: (17R,25aR,E)-15-methyl-17-((7-methyl-1H-indazol-5-yl)methyl)-10,11,14,15,17,18-hexahydro-8H,13H,25H-3,5-(azenometheno)-23,25a-methano-20,24-(metheno)pyrrolo[3,4-r][1,4]dioxa[7,10]diazacyclotetracosine-1,16,19(2H)-trione
InChi Key: LJMGRDULDLZQAJ-ATKWODBQSA-N
InChi Code: InChI=1S/C35H36N6O5/c1-21-12-23(13-27-20-37-40-30(21)27)15-29-33(43)41(2)7-9-46-11-10-45-8-3-4-22-14-28-31(36-19-22)39-34(44)35(28)17-25-6-5-24(32(42)38-29)16-26(25)18-35/h3-6,12-14,16,19-20,29H,7-11,15,17-18H2,1-2H3,(H,37,40)(H,38,42)(H,36,39,44)/b4-3+/t29-,35-/m1/s1
SMILES Code: CC1=CC(C[C@H]2NC(C3=CC4=C(C=C3)C[C@@]5(C4)C6=C(NC5=O)N=CC(/C=C/COCCOCCN(C)C2=O)=C6)=O)=CC7=C1NN=C7
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 620.71 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. Southall SM, Banerjee J, Brown J, Butkovic K, Cansfield AD, Cansfield JE, Congreve MS, Cseke G, Deflorian F, Hunjadi MP, Hutinec A, Inturi TK, Rupcic R, Saxty G, Watson SP. Novel Macrocyclic Antagonists of the CGRP Receptor Part 2: Stereochemical Inversion Induces an Unprecedented Binding Mode. ACS Med Chem Lett. 2022 Oct 19;13(11):1776-1782. doi: 10.1021/acsmedchemlett.2c00400. PMID: 36385934; PMCID: PMC9661699.