3-Guanidinopropanoate structure, CAS 353-09-3

3-Guanidinopropanoate

CAS Number353-09-3

SynonymsEINECS 206-530-0; 3-(diaminomethylideneamino)propanoic acid; n-carbamimidoyl-|A-alanine; beta-Guanidinopropionic acid; 3-Guanidinopropanoate; 3-carbamimidamidopropanoic acid; N-Carbamimidoyl-β-alanine; N-(Aminomethyl)-β-alanine; MFCD00045939; Guanidinopropionic acid; 3-Guanidinopropionic Acid; β-Guanidinopropionic acid; b-Guanidinopropionate; 3-Guanidinopropanoic acid; 3-guanidinepropionic acid

Molecular FormulaHN=C(NH2)NHCH2CH2COOH

Molecular Weight131.13

Purity≥97.5 (TLC)%

Density1.5±0.1 g/cm3

Boiling Point299.1±42.0 °C at 760 mmHg

Melting Point222 °C (dec.) (lit.)

Flash Point

Appearancepowder or crystals

EINECS206-530-0

MSDSChineseEnglish

Symbol

Signal Word

Cat. No.: 2A-9021461 Purity: ≥97.5 (TLC)%
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Quality Control of [ 353-09-3 ] Purity: ≥97.5 (TLC)% SDS Specification MoL

Chemical & Physical Properties
CAS Number353-09-3
Catalog No.2A-9021461
Chinese Name胍基丙酸
SynonymsEINECS 206-530-0; 3-(diaminomethylideneamino)propanoic acid; n-carbamimidoyl-|A-alanine; beta-Guanidinopropionic acid; 3-Guanidinopropanoate; 3-carbamimidamidopropanoic acid; N-Carbamimidoyl-β-alanine; N-(Aminomethyl)-β-alanine; MFCD00045939; Guanidinopropionic acid; 3-Guanidinopropionic Acid; β-Guanidinopropionic acid; b-Guanidinopropionate; 3-Guanidinopropanoic acid; 3-guanidinepropionic acid
Molecular FormulaHN=C(NH2)NHCH2CH2COOH
Molecular Weight131.13
Purity≥97.5 (TLC)
Density1.5±0.1 g/cm3
Boiling Point299.1±42.0 °C at 760 mmHg
Melting Point222 °C (dec.) (lit.)
Appearancepowder or crystals
Storage Condition−20°C
ApplicationRGX-202 is an oral small molecule SLC6A8 transporter inhibitor. RGX-202 strongly inhibits creatine import in vitro and in vivo, reduces intracellular phosphocreatine and ATP levels, and induces tumor
EINECS206-530-0
HTC2925290090
PubChem ID24895277
MDL NumberMFCD00045939
SMILESNC(=N)NCCC(O)=O
InChI1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)
InChI KeyKMXXSJLYVJEBHI-UHFFFAOYSA-N
Beilstein/REAXYS1705262
NACRES CodeNA.26
UNSPSC12352209
MSDSmsds/21461_1_353_09_3.pdf
BioactivityRGX-202 is an oral small-molecule SLC6A8 transporter inhibitor. RGX-202 robustly inhibits creatine import in vitro and in vivo, reduces intracellular phosphocreatine and ATP levels, and induces tumor apoptosis. RGX-202 can be used for the research of cancer[1]. Related Catalog Research Areas >> Cancer Target Human Endogenous Metabolite In Vitro RGX-202 (10 μM; 96 hours) reduces cell growth, and reveals a nearly complete depletion of phosphocreatine (>99%), greater than 79% reduction in cellular creatine and a substantial (46%) reduction in intracellular ATP levels relative to control cells in hypoxia[1]. In Vivo RGX-202 (800 mg/kg; p.o. for 35 days) reduces UN-KPC-961 pancreatic tumoral creatine levels in B6129SF1/J mice[1]. RGX-202 (approximately 650 mg/kg; i.p. daily for 14 days) treatment reduces Lvm3b cells liver metastatic colonization by eightfold in NOD-SCID mice[1]. Animal Model: UN-KPC-961 pancreatic tumor-bearing B6129SF1/J mice[1] Dosage: 800 mg/kg Administration: p.o. for 35 days Result: Suppressed tumoral d3-creatine import by 50% at 800 mg/kg. Animal Model: 6- to 9-week-old C57BL/6J male wild-type mice[1] Dosage: 100, 250, 500 mg/KG in sterile 0.9% NaCl Administration: p.o. for 35 days Result: Inhibited tissue uptake of d3-creatine in a dose-dependent manner by up to 75% at 500 mg/kg. References [1]. Kurth I, et al. Therapeutic targeting of SLC6A8 creatine transporter suppresses colon cancer progression and modulates human creatine levels. Sci Adv. 2021 Oct 8;7(41):eabi7511. Chemical & Physical Properties Density 1.5±0.1 g/cm3 Boiling Point 299.1±42.0 °C at 760 mmHg Melting Point 222 °C (dec.)(lit.) Molecular Formula C4H9N3O2 Molecular Weight 131.133 Flash Point 134.7±27.9 °C Exact Mass 131.069473 PSA 99.20000 LogP -1.68 Vapour Pressure 0.0±1.3 mmHg at 25°C Index of Refraction 1.575 InChIKey KMXXSJLYVJEBHI-UHFFFAOYSA-N SMILES NC(N)=NCCC(=O)O Storage condition −20°C
Use ofProperties Articles36 Name 3-guanidinopropanoic acid Synonym More Synonyms RGX-202 Biological Activity Related Catalog Research Areas >> Cancer Human Endogenous Metabolite In Vitro RGX-202 (10 μM; 96 hours) reduces cell growth, and reveals a nearly complete depletion of phosphocreatine (>99%), greater than 79% reduction in cellular creatine and a substantial (46%) reduction in intracellular ATP levels relative to control cells in hypoxia[1]. References Chemical & Physical Properties Molecular Formula C4H9N3O2 Exact Mass 131.069473 PSA 99.20000 LogP -1.68 Index of Refraction 1.575 InChIKey KMXXSJLYVJEBHI-UHFFFAOYSA-N SMILES NC(N)=NCCC(=O)O
Tax Rebate9.0%
Supervisionnone
Transport InfoProduct name: Summary 2925290090 other imines and their derivatives; salts thereof. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 6.5%. General tariff:30.0%
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