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MedKoo Cat#: 413773 | Name: Cobitolimod

Description:

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

Cobitolimod is a DNA based oligonucleotide that activates toll-like receptor 9.

Chemical Structure

Cobitolimod
Cobitolimod
CAS#1226822-98-5

Theoretical Analysis

MedKoo Cat#: 413773

Name: Cobitolimod

CAS#: 1226822-98-5

Chemical Formula: C185H233N73O106P18S6

Exact Mass: 5921.8687

Molecular Weight: 5925.19

Elemental Analysis: C, 37.50; H, 3.96; N, 17.26; O, 28.62; P, 9.41; S, 3.25

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Cobitolimod; DIMS0150; DIMS-0150; DIMS 0150; IDX0150; IDX-0150; IDX 0150
IUPAC/Chemical Name
DNA, d(g-SP-g-SP-a-SP-a-c-a-g-t-t-c-g-t-c-c-a-t-SP-g-SP-g-SP-C)
InChi Key
IXYNFLOLUBKHQU-FZCWJHTDSA-N
InChi Code
InChI=1S/C185H233N73O106P18S6/c1-71-34-245(182(276)236-161(71)261)123-21-81(100(334-123)44-314-371(292,293)353-83-23-125(247-36-73(3)163(263)238-184(247)278)336-102(83)46-316-373(296,297)357-87-28-133(255-67-215-143-157(255)226-173(197)232-167(143)267)341-106(87)50-320-374(298,299)354-84-24-127(249-61-209-137-147(191)201-57-205-151(137)249)338-103(84)47-317-366(282,283)349-80-20-122(244-14-9-117(190)223-181(244)275)333-99(80)43-313-375(300,301)358-88-26-129(251-63-211-139-149(193)203-59-207-153(139)251)342-108(88)52-323-379(306,385)362-90-30-130(252-64-212-140-150(194)204-60-208-154(140)252)343-109(90)53-325-381(308,387)363-92-32-135(257-69-217-145-159(257)228-175(199)234-169(145)269)344-110(92)54-324-378(305,384)359-76-16-131(328-94(76)38-259)253-65-213-141-155(253)224-171(195)230-165(141)265)351-369(288,289)312-42-98-79(19-121(332-98)243-13-8-116(189)222-180(243)274)350-368(286,287)319-49-105-86(27-132(340-105)254-66-214-142-156(254)225-172(196)231-166(142)266)356-372(294,295)315-45-101-82(22-124(335-101)246-35-72(2)162(262)237-183(246)277)352-370(290,291)311-41-97-77(17-119(331-97)241-11-6-114(187)220-178(241)272)347-365(280,281)310-40-96-78(18-120(330-96)242-12-7-115(188)221-179(242)273)348-367(284,285)318-48-104-85(25-128(339-104)250-62-210-138-148(192)202-58-206-152(138)250)355-376(302,303)321-51-107-89(29-126(337-107)248-37-74(4)164(264)239-185(248)279)360-380(307,386)326-56-112-93(33-136(346-112)258-70-218-146-160(258)229-176(200)235-170(146)270)364-382(309,388)327-55-111-91(31-134(345-111)256-68-216-144-158(256)227-174(198)233-168(144)268)361-377(304,383)322-39-95-75(260)15-118(329-95)240-10-5-113(186)219-177(240)271/h5-14,34-37,57-70,75-112,118-136,259-260H,15-33,38-56H2,1-4H3,(H,280,281)(H,282,283)(H,284,285)(H,286,287)(H,288,289)(H,290,291)(H,292,293)(H,294,295)(H,296,297)(H,298,299)(H,300,301)(H,302,303)(H,304,383)(H,305,384)(H,306,385)(H,307,386)(H,308,387)(H,309,388)(H2,186,219,271)(H2,187,220,272)(H2,188,221,273)(H2,189,222,274)(H2,190,223,275)(H2,191,201,205)(H2,192,202,206)(H2,193,203,207)(H2,194,204,208)(H,236,261,276)(H,237,262,277)(H,238,263,278)(H,239,264,279)(H3,195,224,230,265)(H3,196,225,231,266)(H3,197,226,232,267)(H3,198,227,233,268)(H3,199,228,234,269)(H3,200,229,235,270)/t75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,118+,119+,120+,121+,122+,123+,124+,125+,126+,127+,128+,129+,130+,131+,132+,133+,134+,135+,136+,377?,378?,379?,380?,381?,382?/m0/s1
SMILES Code
CC1=CN(C(NC1=O)=O)[C@H]2C[C@@H]([C@H](O2)COP(O)(O[C@H]3C[C@H](N4C=C(C(NC4=O)=O)C)O[C@@H]3COP(O)(O[C@H]5C[C@H](n6c7c(C(NC(N)=N7)=O)nc6)O[C@@H]5COP(O)(O[C@H]8C[C@H](n(cn9)c%10c9c(N)ncn%10)O[C@@H]8COP(O)(O[C@H]%11C[C@H](N%12C=CC(N)=NC%12=O)O[C@@H]%11COP(O)(O[C@H]%13C[C@H](n(cn%14)c%15c%14c(N)ncn%15)O[C@@H]%13COP(O)(O[C@H]%16C[C@H](n(cn%17)c%18c%17c(N)ncn%18)O[C@@H]%16COP(O)(O[C@H]%19C[C@H](n%20c%21c(C(NC(N)=N%21)=O)nc%20)O[C@@H]%19COP(O)(O[C@H]%22C[C@H](n%23c%24c(C(NC(N)=N%24)=O)nc%23)O[C@@H]%22CO)=S)=S)=S)=O)=O)=O)=O)=O)OP(O)(OC[C@H]%25O[C@@H](N%26C=CC(N)=NC%26=O)C[C@@H]%25OP(O)(OC[C@H]%27O[C@@H](n%28c%29c(C(NC(N)=N%29)=O)nc%28)C[C@@H]%27OP(O)(OC[C@H]%30O[C@@H](N%31C=C(C(NC%31=O)=O)C)C[C@@H]%30OP(O)(OC[C@H]%32O[C@@H](N%33C=CC(N)=NC%33=O)C[C@@H]%32OP(O)(OC[C@H]%34O[C@@H](N%35C=CC(N)=NC%35=O)C[C@@H]%34OP(O)(OC[C@H]%36O[C@@H](n(cn%37)c%38c%37c(N)ncn%38)C[C@@H]%36OP(O)(OC[C@H]%39O[C@@H](N%40C=C(C(NC%40=O)=O)C)C[C@@H]%39OP(O)(OC[C@H]%41O[C@@H](n%42c%43c(C(NC(N)=N%43)=O)nc%42)C[C@@H]%41OP(O)(OC[C@H]%44O[C@@H](n%45c%46c(C(NC(N)=N%46)=O)nc%45)C[C@@H]%44OP(O)(OC[C@H]%47O[C@@H](N%48C=CC(N)=NC%48=O)C[C@@H]%47O)=S)=S)=S)=O)=O)=O)=O)=O)=O)=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
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 5,925.19 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
1: Schmitt H, Ulmschneider J, Billmeier U, Vieth M, Scarozza P, Sonnewald S, Reid S, Atreya I, Rath T, Zundler S, Langheinrich M, Schüttler J, Hartmann A, Winkler T, Admyre C, Knittel T, Dieterich Johansson C, Zargari A, Neurath MF, Atreya R. The TLR9 Agonist Cobitolimod Induces IL10-Producing Wound Healing Macrophages and Regulatory T Cells in Ulcerative Colitis. J Crohns Colitis. 2020 May 21;14(4):508-524. doi: 10.1093/ecco-jcc/jjz170. PMID: 31630153; PMCID: PMC7242005. 2: Atreya R, Peyrin-Biroulet L, Klymenko A, Augustyn M, Bakulin I, Slankamenac D, Miheller P, Gasbarrini A, Hébuterne X, Arnesson K, Knittel T, Kowalski J, Neurath MF, Sandborn WJ, Reinisch W; CONDUCT study group. Cobitolimod for moderate-to-severe, left-sided ulcerative colitis (CONDUCT): a phase 2b randomised, double-blind, placebo-controlled, dose-ranging induction trial. Lancet Gastroenterol Hepatol. 2020 Dec;5(12):1063-1075. doi: 10.1016/S2468-1253(20)30301-0. Epub 2020 Oct 5. PMID: 33031757. 3: Atreya R, Reinisch W, Peyrin-Biroulet L, Scaldaferri F, Admyre C, Knittel T, Kowalski J, Neurath MF, Hawkey C. Clinical efficacy of the Toll-like receptor 9 agonist cobitolimod using patient-reported-outcomes defined clinical endpoints in patients with ulcerative colitis. Dig Liver Dis. 2018 Oct;50(10):1019-1029. doi: 10.1016/j.dld.2018.06.010. Epub 2018 Jun 22. PMID: 30120066. 4: Scarozza P, Schmitt H, Monteleone G, Neurath MF, Atreya R. Oligonucleotides-A Novel Promising Therapeutic Option for IBD. Front Pharmacol. 2019 Apr 24;10:314. doi: 10.3389/fphar.2019.00314. PMID: 31068803; PMCID: PMC6491809.

View History

NIR-II fluorophore-H1

NIR-II fluorophore-H1