Find Dentonin manufacturers, exporters & distributors on PharmaCompass

Dentonin

Trusted Global CDMO Partner Delivering End-to-End Pharma Manufacturing & Development Solutions.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

1 Drugs in Development

1 Drugs in Development

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

0INTERMEDIATES

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

1DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

API REF. PRICE (USD/KG)

$ 0

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Regulatory FDF Prices

API/FDF Prices: Book a Demo to
explore the features and consider
upgrading later

MARKET PLACE

API

FDF

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

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

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 Formula	C₁₀₇H₁₆₀N₃₀O₄₂
Molecular Weight	2538.6 g/mol
XLogP3	-18.1
Hydrogen Bond Donor Count	38
Hydrogen Bond Acceptor Count	45
Rotatable Bond Count	84
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	1190
Heavy Atom Count	179
Formal Charge	0
Complexity	5900
Isotope Atom Count	0
Defined Atom Stereocenter Count	21
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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.

Drugs in Development