31-Amino-7-{3-[(diaminomethylene)amino]propyl}-19-(4-hydroxybenzyl)-25-(hydroxymethyl)-28-(1H-imidazol-5-ylmethyl)-10,16-diisopropyl-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,2 9-nonaazacyclodotriacontane-4-carboxylic acid

Basic Information

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CAS Number

97474-88-9

Molecular Formula

C44H67N15O13S2

Molecular Weight

1078.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Density

1.56±0.1 g/cm3 (20 ºC 760 Torr),

SMILES

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CC(C)C1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)C(C)C)Cc2ccc(cc2)O)CO)Cc3cnc[nH]3)N)C(=O)O)CCCN=C(N)N

InChI

InChI=1S/C44H67N15O13S2/c1-21(2)34-41(69)51-16-33(63)58-35(22(3)4)42(70)54-27(6-5-11-49-44(46)47)38(66)57-31(43(71)72)19-74-73-18-26(45)36(64)55-29(13-24-14-48-20-52-24)39(67)56-30(17-60)37(65)50-15-32(62)53-28(40(68)59-34)12-23-7-9-25(61)10-8-23/h7-10,14,20-22,26-31,34-35,60-61H,5-6,11-13,15-19,45H2,1-4H3,(H,48,52)(H,50,65)(H,51,69)(H,53,62)(H,54,70)(H,55,64)(H,56,67)(H,57,66)(H,58,63)(H,59,68)(H,71,72)(H4,46,47,49)

InChIKey

MIHUXUMZEJHQNC-UHFFFAOYSA-N

LogP

-5.308700000000032

Topological Polar Surface Area

458.76 Å²

Hydrogen Bond Donor/Acceptor

19 / 28

Complexity

1980

Synonyms & References

English

a-TGF (34-43), rat
CYS-HIS-SER-GLY-TYR-VAL-GLY-VAL-ARG-CYS
L-Cysteine,L-cysteinyl-L-histidyl-L-serylglycyl-L-tyrosyl-L-valylglycyl-L-valyl-L-arginyl-,cyc...
TGF α (34-43) (rat)
10)-disulfide (9CI)
H-CYS-HIS-SER-GLY-TYR-VAL-GLY-VAL-ARG-CYS-OH
TGF A (34-43) (RAT)
TRANSFORMING GROWTH FACTOR-A*FRAGMENT 34-43 RAT
31-amino-7-[3-(diaminomethylideneamino)propyl]-25-(hydroxymethyl)-19-[(4-hydroxyphenyl)methyl]-28-(1
1,2-Dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane, cyclic peptide deriv. (ZCI)

MDL Number

MFCD00151765

FAQ

What regulatory guidelines apply to 31-Amino-7-{3-[(diaminomethylene)amino]propyl}-19-(4-hydroxybenzyl)-25-(hydroxymethyl)-28-(1H-imidazol-5-ylmethyl)-10,16-diisopropyl-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane-4-carboxylic acid (CAS: 97474-88-9)?

This compound is subject to GHS classification, REACH regulations, and FDA/EPA related requirements. It falls under classification codes for hazardous substances, requiring proper labeling, documentation, and handling. Additionally, it is subject to specific REACH conformity assessments and registration requirements. Environmental protection measures must be adhered to during storage and disposal to ensure compliance with local and international regulations.

Are there alternatives to 31-Amino-7-{3-[(diaminomethylene)amino]propyl}-19-(4-hydroxybenzyl)-25-(hydroxymethyl)-28-(1H-imidazol-5-ylmethyl)-10,16-diisopropyl-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane-4-carboxylic acid (CAS: 97474-88-9) in synthesis?

In synthesis, alternatives such as related amino acids, isomers, or analogs can be considered. Common alternative reagents include other carboxylic acids with similar functional groups or isomeric structures. These alternatives can be used to achieve similar objectives in organic synthesis, though they may differ in reactivity and selectivity.

What is the market or research trend for 31-Amino-7-{3-[(diaminomethylene)amino]propyl}-19-(4-hydroxybenzyl)-25-(hydroxymethyl)-28-(1H-imidazol-5-ylmethyl)-10,16-diisopropyl-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane-4-carboxylic acid (CAS: 97474-88-9)?

This compound is currently in the research phase, with emerging trends focusing on its potential applications in pharmaceuticals and biochemistry. Market demand is increasing as more research is conducted, particularly in the development of new drug candidates and immunomodulatory agents. Future research may explore its use in targeted therapies and personalized medicine.

How should waste containing 31-Amino-7-{3-[(diaminomethylene)amino]propyl}-19-(4-hydroxybenzyl)-25-(hydroxymethyl)-28-(1H-imidazol-5-ylmethyl)-10,16-diisopropyl-6,9,12,15,18,21,24,27,30-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontane-4-carboxylic acid (CAS: 97474-88-9) be handled?

Waste containing this compound should be collected in suitable containers, labeled appropriately, and disposed of through professional waste disposal services. Incineration is a common method for disposing of such waste, provided it meets environmental and safety standards. Environmental precautions include ensuring no release of hazardous substances into the air, water, or soil during disposal. Compliance with local and international regulations is essential.