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Chemistry

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Also known as: Trabedersen [inn:ban], Unii-98oyr854ny, 98oyr854ny, Ap-2-09, Dna, d(p-thio)(c-g-g-c-a-t-g-t-c-t-a-t-t-t-t-g-t-a), 925681-61-4
Molecular Formula
C177H226N60O94P17S17+
Molecular Weight
5770  g/mol
InChI Key
HSWLVDBGZCETRH-UHFFFAOYSA-O

Trabedersen
Trabedersen is a transforming growth factor (TGF)-beta2 specific phosphorothioate antisense oligodeoxynucleotide with the sequence 5'-CGGCATGTCTATTTTGTA-3', with potential antineoplastic activity. Trebedersen binds to TGF-beta2 mRNA causing inhibition of protein translation, thereby decreasing TGF-beta2 protein levels; decreasing intratumoral TGF-beta2 levels may result in the inhibition of tumor cell growth and migration, and tumor angiogenesis. TGF-beta2, a cytokine often over-expressed in various malignancies, may play an important role in promoting the growth, progression, and migration of tumor cells.
1 2D Structure

Trabedersen

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-[5-[[[2-[[[2-[[[2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[2-[[[2-[[[2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(2-amino-6-oxo-1H-purin-9-yl)-2-[[[5-(4-amino-2-oxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(6-aminopurin-9-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione;[3-[[5-(2-amino-6-oxo-1H-purin-9-yl)-3-[[3-[[5-(6-aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxo-sulfanylphosphanium
2.1.2 InChI
InChI=1S/C137H175N46O73P13S13.C40H50N14O21P4S4/c1-54-27-173(132(198)164-117(54)186)91-13-60(185)75(231-91)34-217-257(204,270)247-64-17-95(174-28-55(2)118(187)165-133(174)199)234-78(64)37-222-262(209,275)249-66-19-97(176-30-57(4)120(189)167-135(176)201)236-80(66)39-223-267(214,280)253-70-23-101(180-50-151-106-111(142)147-48-149-113(106)180)240-84(70)43-227-263(210,276)250-67-20-98(177-31-58(5)121(190)168-136(177)202)235-79(67)38-221-259(206,272)245-62-15-93(171-11-8-89(139)156-130(171)196)232-76(62)35-219-261(208,274)248-65-18-96(175-29-56(3)119(188)166-134(175)200)238-82(65)41-225-268(215,281)255-73-26-104(183-53-154-109-116(183)160-128(145)163-125(109)194)242-86(73)45-228-264(211,277)251-68-21-99(178-32-59(6)122(191)169-137(178)203)237-81(68)40-224-266(213,279)252-69-22-100(179-49-150-105-110(141)146-47-148-112(105)179)239-83(69)42-226-260(207,273)246-63-16-94(172-12-9-90(140)157-131(172)197)233-77(63)36-220-265(212,278)254-72-25-103(182-52-153-108-115(182)159-127(144)162-124(108)193)243-87(72)46-229-269(216,282)256-71-24-102(181-51-152-107-114(181)158-126(143)161-123(107)192)241-85(71)44-218-258(205,271)244-61-14-92(230-74(61)33-184)170-10-7-88(138)155-129(170)195;1-16-7-51(39(59)49-35(16)56)27-4-19(23(70-27)9-65-76(61)80)73-78(63,82)68-12-25-21(6-29(72-25)54-15-46-31-34(54)47-38(42)48-37(31)58)75-79(64,83)67-11-24-20(5-28(71-24)52-8-17(2)36(57)50-40(52)60)74-77(62,81)66-10-22-18(55)3-26(69-22)53-14-45-30-32(41)43-13-44-33(30)53/h7-12,27-32,47-53,60-87,91-104,184-185H,13-26,33-46H2,1-6H3,(H,204,270)(H,205,271)(H,206,272)(H,207,273)(H,208,274)(H,209,275)(H,210,276)(H,211,277)(H,212,278)(H,213,279)(H,214,280)(H,215,281)(H,216,282)(H2,138,155,195)(H2,139,156,196)(H2,140,157,197)(H2,141,146,148)(H2,142,147,149)(H,164,186,198)(H,165,187,199)(H,166,188,200)(H,167,189,201)(H,168,190,202)(H,169,191,203)(H3,143,158,161,192)(H3,144,159,162,193)(H3,145,160,163,194);7-8,13-15,18-29,55H,3-6,9-12H2,1-2H3,(H10-,41,42,43,44,47,48,49,50,56,57,58,59,60,61,62,63,64,80,81,82,83)/p+1
2.1.3 InChI Key
HSWLVDBGZCETRH-UHFFFAOYSA-O
2.1.4 Canonical SMILES
CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(OC3CC(OC3COP(=S)(O)OC4CC(OC4COP(=S)(O)OC5CC(OC5COP(=S)(O)OC6CC(OC6COP(=S)(O)OC7CC(OC7COP(=S)(O)OC8CC(OC8COP(=S)(O)OC9CC(OC9COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1COP(=S)(O)OC1CC(OC1CO)N1C=CC(=NC1=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=NC2=C1N=C(NC2=O)N)N1C=CC(=NC1=O)N)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C1N=C(NC2=O)N)N1C=C(C(=O)NC1=O)C)N1C=CC(=NC1=O)N)N1C=C(C(=O)NC1=O)C)N1C=NC2=C(N=CN=C21)N)N1C=C(C(=O)NC1=O)C)N1C=C(C(=O)NC1=O)C)S)O.CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[P+](=O)S)OP(=S)(O)OCC3C(CC(O3)N4C=NC5=C4N=C(NC5=O)N)OP(=S)(O)OCC6C(CC(O6)N7C=C(C(=O)NC7=O)C)OP(=S)(O)OCC8C(CC(O8)N9C=NC1=C(N=CN=C19)N)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Ap 12009

2. Ap-2-09

3. Dna, D(p-thio)(c-g-g-c-a-t-g-t-c-t-a-t-t-t-t-g-t-a)

2.2.2 Depositor-Supplied Synonyms

1. Trabedersen [inn:ban]

2. Unii-98oyr854ny

3. 98oyr854ny

4. Ap-2-09

5. Dna, D(p-thio)(c-g-g-c-a-t-g-t-c-t-a-t-t-t-t-g-t-a)

6. 925681-61-4

2.3 Create Date
2018-03-25
3 Chemical and Physical Properties
Molecular Weight 5770 g/mol
Molecular Formula C177H226N60O94P17S17+
Hydrogen Bond Donor Count42
Hydrogen Bond Acceptor Count131
Rotatable Bond Count102
Exact Mass5766.5573904 g/mol
Monoisotopic Mass5765.5540356 g/mol
Topological Polar Surface Area2470 Ų
Heavy Atom Count365
Formal Charge1
Complexity15200
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count54
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Drug and Medication Information
4.1 Drug Indication

Investigated for use/treatment in brain cancer, colorectal cancer, melanoma, and pancreatic cancer.


5 Pharmacology and Biochemistry
5.1 MeSH Pharmacological Classification

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)


5.2 Mechanism of Action

AP 12009 is an antisense oligodeoxynucleotide that specifically inhibits TGF-beta2. TGF-beta overexpression is a hallmark of various malignant tumors. This is due to the pivotal role of TGF-beta as it regulates key mechanisms of tumor development, namely immunosuppression, metastasis, angiogenesis, and proliferation.


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Looking for 925681-61-4 / Trabedersen API manufacturers, exporters & distributors?

Trabedersen manufacturers, exporters & distributors 1

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

Send us enquiries for free, and we will assist you in establishing a direct connection with your preferred Trabedersen manufacturer or Trabedersen supplier.

PharmaCompass also assists you with knowing the Trabedersen API Price utilized in the formulation of products. Trabedersen API Price is not always fixed or binding as the Trabedersen Price is obtained through a variety of data sources. The Trabedersen Price can also vary due to multiple factors, including market conditions, regulatory modifications, or negotiated pricing deals.

API | Excipient name

Trabedersen

Synonyms

Trabedersen [inn:ban], Unii-98oyr854ny, 98oyr854ny, Ap-2-09, Dna, d(p-thio)(c-g-g-c-a-t-g-t-c-t-a-t-t-t-t-g-t-a), 925681-61-4

Cas Number

925681-61-4

About Trabedersen

Trabedersen is a transforming growth factor (TGF)-beta2 specific phosphorothioate antisense oligodeoxynucleotide with the sequence 5'-CGGCATGTCTATTTTGTA-3', with potential antineoplastic activity. Trebedersen binds to TGF-beta2 mRNA causing inhibition of protein translation, thereby decreasing TGF-beta2 protein levels; decreasing intratumoral TGF-beta2 levels may result in the inhibition of tumor cell growth and migration, and tumor angiogenesis. TGF-beta2, a cytokine often over-expressed in various malignancies, may play an important role in promoting the growth, progression, and migration of tumor cells.

Trabedersen Manufacturers

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

Trabedersen Suppliers

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

Trabedersen GMP

Trabedersen 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 Trabedersen 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 Trabedersen GMP manufacturer or Trabedersen GMP API supplier for your needs.

Trabedersen CoA

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

Trabedersen CoA mostly includes findings from lab analyses of a specific batch. For each Trabedersen 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.

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