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5-Methoxytryptophan

HCID 119802
NotesReactions

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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
28052-84-8
Standard SMILES
COc1ccc2[nH]cc(CC(N)C(=O)O)c2c1
InChIKey
KVNPSKDDJARYKK-UHFFFAOYSA-N
Molecular formula
C12H14N2O3
Average molar mass
234.255 g/mol
Monoisotopic mass
234.10044231

Names & identifiers

Preferred name
5-Methoxytryptophan
IUPAC
5-Methoxytryptophan
English name
5-Methoxy-DL-tryptophan
Molecular formula
C12H14N2O3
Molecular weight
234.25

Names & synonyms

A-0792H-Trp(5-OMe)-OHH-5-MEO-DL-TRP-OHH-DL-Trp(5-OMe)-OHDL-5-METHOXYTRYPTOPHANtryptophan, 5-methoxy-5-Methoxy-DL-tryptophanDL-5-Methoxytryptophan,95%5-METHOXY-DL-TRYPTOPHAN(5MeOTrp)5-Methoxy-DL-tryptophan

Database identifiers

CAS
28052-84-8
PubChem CID
119802
DTXSID
DTXSID50862973
ChEMBL
CHEMBL1491313
ChEBI
CHEBI:194846
EC Number
248-800-0
Nikkaji
J2.700.659K

Properties

Physicochemical properties

Melting point
258 · 258-261 °C (dec.)(lit.)
Boiling point
376.57 °C · 376.57°C (rough estimate)
Density
1.1923 · 1.1923 (rough estimate)
refractive index
1.666 · 1.6660 (estimate)
storage temp.
-20 °C · -20°C
solubility
1 mg/ml; · DMSO: 1 mg/ml; PBS (pH 7.2): 1 mg/ml
pka
2.224 · 2.224±0.10(predicted)
form
crystalline
color
Light yellow to yellow
BRN
26781 · 26781
Major Application
peptide synthesis
InChI
1S/C12H14N2O3/c1-17-8-2-3-11-9(5-8)7(6-14-11)4-10(13)12(15)16/h2-3,5-6,10,14H,4,13H2,1H3,(H,15,16)
InChIKey
KVNPSKDDJARYKK-UHFFFAOYSA-N
SMILES
COc1ccc2[nH]cc(CC(N)C(O)=O)c2c1
CAS DataBase Reference
28052 · 28052-84-8(CAS DataBase Reference)
EWG's Food Scores
1 · 1
UNSPSC Code
12352209 · 12352209
NACRES
26 · NA.26
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319-H335
Precautionary statements
261 · P261-P271-P280
PPE
95 · Eyeshields, Gloves, type N95 (US)

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29339900
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
24/25
hazard_class
IRRITANT
Storage Class
11 - Combustible Solids
Hazard statements
H315-H319-H335
Precautionary statements
P261-P271-P280

Chemistry & industry

Applications · 1 item

Uses5-Methoxy-DL-tryptophan is a molecule produced by endothelial cells to modulate inflammatory responses and protect against systemic inflammation. It can also suppress lipopolysaccharide-induced inflammatory responses and signaling in macrophages and endotoxemic lung tissues.

Upstream & downstream products

Upstream raw materials

HydantoinN,N-DimethylformamidePiperidine5-MethoxyindoleNickelBarium hydroxidePhosphorus oxitrichlorideAmmonium sulfideCarbon disulfideAcetic acidSodium hydroxideSulfuric acidAmmonia

Suppliers86 total

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]

Related reactions

5 records
New reaction record
HRID 177271 reaction equation
HRID 177271As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 985393 reaction equation
HRID 985393As reactantuspto-grants-2005_03
HRID 2065606 reaction equation
HRID 2065606As reactantuspto-grants-2012_10
HRID 2104208 reaction equation
HRID 2104208As reactantuspto-grants-2009_08
HRID 2146948 reaction equation
HRID 2146948As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Safety Statements
24 · 24/25
WGK Germany
3 · 3
HazardClass
IRRITANT
HS Code
29339900 · 29339900
Storage Class
11 · 11 - Combustible Solids
湖北万得化工有限公司
15377098680 15377098680 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]
上海沸柏化工科技有限公司021-58955608,2250286 15921236618 · [email protected]
梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉市皇臻生物化工有限公司13795480948 · [email protected]
上海缤马科技有限公司15262241608 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
Aceschem Inc.+1-817863-6948 +1-(817)863-6948 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
吉尔生化(玉门)有限公司18221406464 18221406464;13236395639 · [email protected]
赛默飞世尔科技(中国)有限公司800-810-5118 · [email protected]
北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
R&D Scientific Inc.+1-2266000236 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
药渡经纬信息科技(北京)有限公司+86-400-851-9921 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海瀚思化工有限公司18916268197 · [email protected]
上海英奇曼化学科技有限公司18299177127 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
GL Biochem (Shanghai) Ltd.+86-021-61263370 +86-18901917034
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
上海康恩博医药科技有限公司(科小研试剂)400-1388-521 17510465506 · [email protected]

Additional notes

DefinitionChEBI: 5-Methoxy-DL-tryptophan is a member of tryptamines. It is functionally related to a serotonin.