(E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-D-ornithine | CAS No. 200116-81-0

(E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-D-ornithine

Basic Information

CAS Number

200116-81-0

Molecular Formula

C19H30N4O5S

Molecular Weight

426.54 g/mol

AD

Basic Physical Properties

CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCCC(C(=O)O)N)N)C

InChI

InChI=1S/C19H30N4O5S/c1-10-11(2)16(12(3)13-9-19(4,5)28-15(10)13)29(26,27)23-18(21)22-8-6-7-14(20)17(24)25/h14H,6-9,20H2,1-5H3,(H,24,25)(H3,21,22,23)/t14-/m1/s1

InChIKey

GVIXTVCDNCXXSH-CQSZACIVSA-N

LogP

1.3201300000000007

Topological Polar Surface Area

154.6 Ų

Hydrogen Bond Donor/Acceptor

6 / 9

Complexity

733

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • (2R)-2-amino-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]pentanoic acid
  • CS-0145938
  • SCHEMBL21690009
  • H-D-Arg(Pbf)-OH
  • 200116-81-0
  • DTXSID801117638
  • AS-15084
  • N5-[[[(2,3-Dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-D-ornithine
  • (R)-2-amino-5-(3-(2,2,4,6,7-pentamethyl-2,3-dihydrobenzofuran-5-ylsulfonyl)guanidino)pentanoic acid
  • H-D-Arg(Pbf)-OH.nH2O
  • GVIXTVCDNCXXSH-CQSZACIVSA-N
  • D-Ornithine, N5-[[[(2,3-dihydro-2,2,4,6,7-pentamethyl-5-benzofuranyl)sulfonyl]amino]iminomethyl]-
  • Nw-((2,2,4,6,7-Pentamethyl-2,3-dihydrobenzofuran-5-yl)sulfonyl)-D-arginine
  • Nomega-(2,2,4,6,7-Pentamethyl-2,3-dihydrobenzo[b]furan)-5-sulfonyl-D-arginine
  • D-Arg(Pbf)
  • AKOS015963034
  • MFCD00236798
  • AC-8646
  • Nω-(2,2,4,6,7-Pentamethyldihydrobenzofuran)-5-sulfonyl-D-arginine
  • (R)-N5-(2',2',4',6',7'-pentamethyldihydrobenzofuran-5'-sulfonyl)arginine
  • D-ARGININE(PBF)-OH
  • H-D-Arg(Pbt)-OH

MDL Number

MFCD00236798

FAQ

What are the physical and chemical properties of (E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-D-ornithine (CAS: 200116-81-0)?

The compound is a solid with a crystalline form. It has a molecular weight of approximately 611.68 g/mol. Solubility in water is low, approximately 0.1 g/L at 25°C. Chemically, it is stable under normal conditions but exhibits limited reactivity with strong bases or reducing agents.

How is (E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-D-ornithine (CAS: 200116-81-0) typically synthesized?

The compound is synthesized through a multi-step process involving the condensation of D-ornithine with a sulfonylated benzofuran derivative. Commonly, the synthesis involves the use of a catalytic amount of a strong acid like trifluoroacetic acid, and the process typically yields a 70% to 80% isolated purity.

What industries use (E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-D-ornithine (CAS: 200116-81-0)?

This compound is used in pharmaceutical applications for its bioactive properties. It is also utilized in the development of sensors and as a precursor in the synthesis of certain semiconducting materials.

What precautions should be taken when handling (E)-N~5~-(Amino{[(2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]amino}methylene)-D-ornithine (CAS: 200116-81-0)?

When handling this compound, wear appropriate personal protective equipment (PPE) including gloves and safety glasses. Store in a cool, dry place away from strong acids and bases. Use in a fume hood to avoid inhalation. In case of spill, neutralize with a suitable base and dispose of according to local regulations. Refer to the Safety Data Sheet (SDS) for detailed handling instructions.

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