Fmoc-L-Tic-OH

HCID 978341

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Basic information

CAS: 136030-33-6
Standard SMILES: O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIKey: LIRBCUNCXDZOOU-QHCPKHFHSA-N
Molecular formula: C25H21NO4
Average molar mass: 399.4 g/mol
Monoisotopic mass: 399.14705815

Names & identifiers

Preferred name: Fmoc-L-Tic-OH
IUPAC: (3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
English name: Fmoc-Tic-OH
Molecular formula: C25H21NO4
Molecular weight: 399.44

Names & synonyms

Fmoc-L-Tic-OHRVU46S5W2LRefChem:1085486Fmoc-Tic-OH136030-33-6Fmoc-L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid(3S)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid(S)-2-(((9H-Fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidMFCD00144368Fmoc-TicSCHEMBL119605DTXSID90359655

Show more names

FMOC-L-TIQRARECHEM BK PT 0084FMOC-TIC-OH USP/EP/BPFmoc-L-Tetrahydroisoquinoline-3-COOIcatibant Impurity 15 (Fmoc-Tic-OH)(9H-Fluoren-9-yl)MethOxy]Carbonyl Tic-OH

AKOS016843571AC-99982,3(1H)-Isoquinolinedicarboxylic acid, 3,4-dihydro-,2-(9H-fluoren-9-ylmethyl) ester, (3S)-(S)-N-Fmoc-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acidN-FMOC-L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acidFmoc-L-Tic(3S)-2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid(3S)-2-[[(9H-Fluoren-9-yl)methoxy]carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Database identifiers

CAS: 136030-33-6
PubChem CID: 978341
DTXSID: DTXSID90359655
UNII: RVU46S5W2L

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 30
Formal charge: 0
Complexity: 629

Physicochemical properties

Melting point: 146 · 146-149 °C
Boiling point: 522.37 °C · 522.37°C (rough estimate)
Density: 1.239 · 1.2390 (rough estimate)
refractive index: 1.6 · 1.6000 (estimate)
storage temp.: 2 · 2-8°C
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Powder
pka: 3.82 · 3.82±0.20(Predicted)
color: White to off-white
optical activity: 20 · [α]20/D +26.0±3.0°, c = 1% in methanol
BRN: 4827574 · 4827574
Major Application: peptide synthesis
InChI: 1S/C25H21NO4/c27-24(28)23-13-16-7-1-2-8-17(16)14-26(23)25(29)30-15-22-20-11-5-3-9-18(20)19-10-4-6-12-21(19)22/h1-12,22-23H,13-15H2,(H,27,28)/t23-/m0/s1
InChIKey: LIRBCUNCXDZOOU-QHCPKHFHSA-N
SMILES: OC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCC3c4ccccc4-c5ccccc35
UNSPSC Code: 12352209 · 12352209
NACRES: 26 · NA.26
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 271 · P271-P261-P280
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
F: 10 · 10
HazardClass: IRRITANT
HS Code: 29334900 · 29334900
Storage Class: 13 · 13 - Non Combustible Solids

Safety & regulation

Safety data

F: 10
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29334900
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-24/25
hazard_class: IRRITANT
Storage Class: 13 - Non Combustible Solids
Hazard statements: H319-H315-H335
Precautionary statements: P271-P261-P280

Chemistry & industry

Applications

UsesFmoc-L-Tic-OH is a serine protease kallikrein 7 modulator.

Suppliers100 total

北京华美互利生物化工010-56205725 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]

成都伊诺达博医药科技有限公司028-85929779 18881048017

江苏生康迈翔科技有限公司18217475093 · [email protected]

Related reactions

2 records

New reaction record

HRID 1747736As reactantuspto-grants-2015_10

HRID 1788429As reactantuspto-grants-2009_03

Compound notes

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