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Chemistry

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Also known as: 513t9qrh4d, Bbb-006, 400090-20-2, Unii-513t9qrh4d, Ac 100, D-00006
Molecular Formula
C107H160N30O42
Molecular Weight
2538.6  g/mol
InChI Key
PRFOXOFIVVOCCT-GRDAUCDVSA-N
FDA UNII
513T9QRH4D

Dentonin
AC-100 is a novel synthetic peptide derived from an endogenous human protein produced by bone and dental cells (a fragment from matrix extracellular phosphoglycoprotein). It is being developed by Acologix, Inc.
1 2D Structure

Dentonin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]butanedioic acid
2.1.2 InChI
InChI=1S/C107H160N30O42/c1-6-51(4)86(135-99(171)67(43-83(155)156)128-96(168)63(39-75(111)143)127-97(169)65(41-81(151)152)121-78(146)46-116-87(159)55(23-15-33-115-107(113)114)122-92(164)58(28-31-79(147)148)124-91(163)57(26-29-73(109)141)125-93(165)60(36-50(2)3)126-98(170)66(42-82(153)154)131-102(174)85(112)52(5)140)103(175)134-70(49-139)105(177)137-35-17-25-72(137)101(173)130-62(38-54-20-11-8-12-21-54)95(167)133-69(48-138)89(161)118-47-77(145)120-64(40-80(149)150)88(160)117-45-76(144)119-59(27-30-74(110)142)104(176)136-34-16-24-71(136)100(172)129-61(37-53-18-9-7-10-19-53)94(166)123-56(22-13-14-32-108)90(162)132-68(106(178)179)44-84(157)158/h7-12,18-21,50-52,55-72,85-86,138-140H,6,13-17,22-49,108,112H2,1-5H3,(H2,109,141)(H2,110,142)(H2,111,143)(H,116,159)(H,117,160)(H,118,161)(H,119,144)(H,120,145)(H,121,146)(H,122,164)(H,123,166)(H,124,163)(H,125,165)(H,126,170)(H,127,169)(H,128,168)(H,129,172)(H,130,173)(H,131,174)(H,132,162)(H,133,167)(H,134,175)(H,135,171)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,178,179)(H4,113,114,115)/t51-,52?,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,85-,86-/m0/s1
2.1.3 InChI Key
PRFOXOFIVVOCCT-GRDAUCDVSA-N
2.2 Other Identifiers
2.2.1 UNII
513T9QRH4D
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 513t9qrh4d

2. Bbb-006

3. 400090-20-2

4. Unii-513t9qrh4d

5. Ac 100

6. D-00006

7. L-aspartic Acid, L-threonyl-l-.alpha.-aspartyl-l-leucyl-l-glutaminyl-l-.alpha.-glutamyl-l-arginylglycyl-l-.alpha.-aspartyl-l-asparaginyl-l-.alpha.-aspartyl-l-isoleucyl-l-seryl-l-prolyl-l-phenylalanyl-l-serylglycyl-l-.alpha.-aspartylglycyl-l-glutaminyl-l-prolyl-l-phenylalanyl-l-lysyl-

8. L-aspartic Acid, L-threonyl-l-alpha-aspartyl-l-leucyl-l-glutaminyl-l-alpha-glutamyl-l-arginylglycyl-l-alpha-aspartyl-l-asparaginyl-l-alpha-aspartyl-l-isoleucyl-l-seryl-l-prolyl-l-phenylalanyl-l-serylglycyl-l-alpha-aspartylglycyl-l-glutaminyl-l-prolyl-l-phenylalanyl-l-lysyl-

9. (2s)-2-(((2s)-6-amino-2-(((2s)-2-(((2s)-1-((2s)-5-amino-2-((2-(((2s)-2-((2-(((2s)-2-(((2s)-2-(((2s)-1-((2s)-2-(((2s,3s)-2-(((2s)-2-(((2s)-4-amino-2-(((2s)-2-((2-(((2s)-2-(((2s)-2-(((2s)-5-amino-2-(((2s)-2-(((2s)-2-(((2s)-2-amino-3-hydroxy-butanoyl)amino)-4-hydroxy-4-oxo-butanoyl)amino)-4-methyl-pentanoyl)amino)-5-oxo-pentanoyl)amino)-5-hydroxy-5-oxo-pentanoyl)amino)-5-guanidino-pentanoyl)amino)acetyl)amino)-4-hydroxy-4-oxo-butanoyl)amino)-4-oxo-butanoyl)amino)-4-hydroxy-4-oxo-butanoyl)amino)-3-methyl-pentanoyl)amino)-3-hydroxy-propanoyl)pyrrolidine-2-carbonyl)amino)-3-phenyl-propanoyl)amino)-3-hydroxy-propanoyl)amino)acetyl)amino)-4-hydroxy-4-oxo-butanoyl)amino)acetyl)amino)-5-oxo-pentanoyl)pyrrolidine-2-carbonyl)amino)-3-phenyl-propanoyl)amino)hexanoyl)amino)butanedioic Acid

10. Ac-100

11. Dtn

12. Da-52435

2.4 Create Date
2020-01-16
3 Chemical and Physical Properties
Molecular Weight 2538.6 g/mol
Molecular Formula C107H160N30O42
XLogP3-18.1
Hydrogen Bond Donor Count38
Hydrogen Bond Acceptor Count45
Rotatable Bond Count84
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area1190
Heavy Atom Count179
Formal Charge0
Complexity5900
Isotope Atom Count0
Defined Atom Stereocenter Count21
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Investigated for use/treatment in periodontal disease.


5 Pharmacology and Biochemistry
5.1 Mechanism of Action

In several preclinical models, AC-100 has demonstrated potent and selective dental tissue and bone formation activity, however the exact mechanism is not known. One study (PMID:15153459) showed that AC-100 enhances dental pulp stem cell (DPSC) proliferation by down-regulating P16, accompanied by up-regulation of ubiquitin protein ligase E3A and human ubiquitin-related protein SUMO-1. Enhanced cell proliferation required intact RGD and SGDG motifs in the peptide. This study shows that AC-100 can promote DPSC proliferation, with a potential role in pulp repair.


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

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API | Excipient name

Dentonin

Synonyms

513t9qrh4d, Bbb-006, 400090-20-2, Unii-513t9qrh4d, Ac 100, D-00006

Cas Number

400090-20-2

Unique Ingredient Identifier (UNII)

513T9QRH4D

About Dentonin

AC-100 is a novel synthetic peptide derived from an endogenous human protein produced by bone and dental cells (a fragment from matrix extracellular phosphoglycoprotein). It is being developed by Acologix, Inc.

Dentonin Manufacturers

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

Dentonin Suppliers

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

Dentonin GMP

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

Dentonin CoA

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

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

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