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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Kappaproct, Cobitolimod [inn], Cobitolimod [usan], Cobitolimod [who-dd], Dims 0150, Idx 0150
Molecular Formula
C185H233N73O106P18S6
Molecular Weight
5925  g/mol
InChI Key
IXYNFLOLUBKHQU-FZCWJHTDSA-N

Cobitolimod
Cobitolimod is under investigation in clinical trial NCT03178669 (The Efficacy of Cobitolimod in Patients With Moderate to Severe Active Ulcerative Colitis).
1 2D Structure

Cobitolimod

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(6-aminopurin-9-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [(2R,3S,5R)-2-[[[(2R,3S,5R)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl] hydrogen phosphate
2.1.2 InChI
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
2.1.3 InChI Key
IXYNFLOLUBKHQU-FZCWJHTDSA-N
2.1.4 Canonical SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)OP(=O)(O)OCC1C(CC(O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OCC1C(CC(O1)N1C=CC(=NC1=O)N)O
2.1.5 Isomeric SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O[C@H]3C[C@@H](O[C@@H]3COP(=O)(O)O[C@H]4C[C@@H](O[C@@H]4COP(=O)(O)O[C@H]5C[C@@H](O[C@@H]5COP(=O)(O)O[C@H]6C[C@@H](O[C@@H]6COP(=O)(O)O[C@H]7C[C@@H](O[C@@H]7COP(=S)(O)O[C@H]8C[C@@H](O[C@@H]8COP(=S)(O)O[C@H]9C[C@@H](O[C@@H]9COP(=S)(O)O[C@H]1C[C@@H](O[C@@H]1CO)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C(N=CN=C21)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C(N=CN=C21)N)OP(=O)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=C(C(=O)NC1=O)C)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=NC2=C1N=C(NC2=O)N)OP(=S)(O)OC[C@@H]1[C@H](C[C@@H](O1)N1C=CC(=NC1=O)N)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Kappaproct

2. Cobitolimod [inn]

3. Cobitolimod [usan]

4. Cobitolimod [who-dd]

5. Dims 0150

6. Idx 0150

7. Unii-328101264r

8. Who 10066

9. 328101264r

10. 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)

11. 1226822-98-5

2.3 Create Date
2016-08-16
3 Chemical and Physical Properties
Molecular Weight 5925 g/mol
Molecular Formula C185H233N73O106P18S6
XLogP3-28.3
Hydrogen Bond Donor Count45
Hydrogen Bond Acceptor Count140
Rotatable Bond Count110
Exact Mass5922.8720822 g/mol
Monoisotopic Mass5921.8687274 g/mol
Topological Polar Surface Area2590 Ų
Heavy Atom Count388
Formal Charge0
Complexity17500
Isotope Atom Count0
Defined Atom Stereocenter Count57
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

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ABOUT THIS PAGE

Cobitolimod Manufacturers

A Cobitolimod manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Cobitolimod, including repackagers and relabelers. The FDA regulates Cobitolimod manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Cobitolimod API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

Cobitolimod Suppliers

A Cobitolimod supplier is an individual or a company that provides Cobitolimod active pharmaceutical ingredient (API) or Cobitolimod finished formulations upon request. The Cobitolimod suppliers may include Cobitolimod API manufacturers, exporters, distributors and traders.

Cobitolimod GMP

Cobitolimod Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Cobitolimod GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Cobitolimod GMP manufacturer or Cobitolimod GMP API supplier for your needs.

Cobitolimod CoA

A Cobitolimod CoA (Certificate of Analysis) is a formal document that attests to Cobitolimod's compliance with Cobitolimod specifications and serves as a tool for batch-level quality control.

Cobitolimod CoA mostly includes findings from lab analyses of a specific batch. For each Cobitolimod CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Cobitolimod may be tested according to a variety of international standards, such as European Pharmacopoeia (Cobitolimod EP), Cobitolimod JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Cobitolimod USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.
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